tert-butyl 1-azanyl-1-[2-[ethyl-[1-(naphthalen-1-ylcarbamoyl)piperidin-3-yl]amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: tert-butyl 1-azanyl-1-[2-[ethyl-[1-(naphthalen-1-ylcarbamoyl)piperidin-3-yl]amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: tert-butyl 1-amino-1-[2-[ethyl-[1-(1-naphthylcarbamoyl)-3-piperidyl]amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-amino-1-[2-[ethyl-[1-[(1-naphthalenylamino)-oxomethyl]-3-piperidinyl]amino]-4-pyrimidinyl]-5-benzimidazol-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-1-[2-[ethyl-[1-(naphthalen-1-ylcarbamoyl)piperidin-3-yl]amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-amino-1-[2-[ethyl-[1-(1-naphthylcarbamoyl)-3-piperidyl]amino]pyrimidin-4-yl]benzimidazol-1-ium-5-carboxylic acid tert-butyl ester Formula: C34H39N8O3+ MolecularWeight: 607.72526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)[N+]5(C=NC6=C5C=CC(=C6)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCN(C1CCCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)[N+]5(C=NC6=C5C=CC(=C6)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C34H38N8O3/c1-5-41(25-12-9-19-40(21-25)33(44)38-27-14-8-11-23-10-6-7-13-26(23)27)32-36-18-17-30(39-32)42(35)22-37-28-20-24(15-16-29(28)42)31(43)45-34(2,3)4/h6-8,10-11,13-18,20,22,25H,5,9,12,19,21,35H2,1-4H3/p+1