1H-indol-3-yl 5-chloranyl-1-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]-2-oxidanylidene-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate

Systemtic Name: 1H-indol-3-yl 5-chloranyl-1-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]-2-oxidanylidene-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-piperazin-1-ium-1-carboxylate Openeye Name: 1H-indol-3-yl 5-chloro-1-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-3-(2-isopropoxyphenyl)-2-oxo-4-(4-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 5-chloro-1-[[(1-hydroxy-4-methylpentan-2-yl)amino]-oxomethyl]-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-1-piperazin-1-iumcarboxylic acid 1H-indol-3-yl ester IUPAC Name: 1H-indol-3-yl 5-chloro-1-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-oxo-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-ylpiperazin-1-ium-1-carboxylate Traditional Name: 5-chloro-3-(2-isopropoxyphenyl)-2-keto-1-[(3-methyl-1-methylol-butyl)carbamoyl]-4-(4-pyridyl)piperazin-1-ium-1-carboxylic acid 1H-indol-3-yl ester Formula: C34H39ClN5O6+ MolecularWeight: 649.15636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)[N+]1(CC(N(C(C1=O)C2=CC=CC=C2OC(C)C)C3=CC=NC=C3)Cl)C(=O)OC4=CNC5=CC=CC=C54

Isomeric SMILES

CC(C)CC(CO)NC(=O)[N+]1(CC(N(C(C1=O)C2=CC=CC=C2OC(C)C)C3=CC=NC=C3)Cl)C(=O)OC4=CNC5=CC=CC=C54

InChI

InChI=1S/C34H38ClN5O6/c1-21(2)17-23(20-41)38-33(43)40(34(44)46-29-18-37-27-11-7-5-9-25(27)29)19-30(35)39(24-13-15-36-16-14-24)31(32(40)42)26-10-6-8-12-28(26)45-22(3)4/h5-16,18,21-23,30-31,37,41H,17,19-20H2,1-4H3/p+1