ethyl 6-methoxy-7-(2-methoxyethoxy)-2-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-ium-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-methoxy-7-(2-methoxyethoxy)-2-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-ium-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 2-[1-[(4-isopropoxyphenyl)carbamoyl]piperazin-1-ium-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylate CAS Name: 6-methoxy-7-(2-methoxyethoxy)-2-[1-[oxo-(4-propan-2-yloxyanilino)methyl]-1-piperazin-1-iumyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-7-(2-methoxyethoxy)-2-[1-[(4-propan-2-yloxyphenyl)carbamoyl]piperazin-1-ium-1-yl]quinoline-3-carboxylate Traditional Name: 2-[1-[(4-isopropoxyphenyl)carbamoyl]piperazin-1-ium-1-yl]-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carboxylic acid ethyl ester Formula: C30H39N4O7+ MolecularWeight: 567.65326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=C(C(=CC2=C1)OC)OCCOC)[N+]3(CCNCC3)C(=O)NC4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=C(C(=CC2=C1)OC)OCCOC)[N+]3(CCNCC3)C(=O)NC4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C30H38N4O7/c1-6-39-29(35)24-17-21-18-26(38-5)27(40-16-15-37-4)19-25(21)33-28(24)34(13-11-31-12-14-34)30(36)32-22-7-9-23(10-8-22)41-20(2)3/h7-10,17-20,31H,6,11-16H2,1-5H3/p+1