N-naphthalen-1-yl-3-[1-[[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide

Systemtic Name: N-naphthalen-1-yl-3-[1-[[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Openeye Name: N-(1-naphthyl)-3-[1-[[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide CAS Name: N-(1-naphthalenyl)-3-[1-[[4-[1-(2-pyrrolidinylmethylamino)-1-benzimidazol-1-iumyl]-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxamide IUPAC Name: N-naphthalen-1-yl-3-[1-[[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Traditional Name: N-(1-naphthyl)-3-[1-[[4-[1-(pyrrolidin-2-ylmethylamino)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxamide Formula: C34H40N9O+ MolecularWeight: 590.7411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)NC4=NC=CC(=N4)[N+]5(C=NC6=CC=CC=C65)NCC7CCCN7

Isomeric SMILES

CC(C1CCCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)NC4=NC=CC(=N4)[N+]5(C=NC6=CC=CC=C65)NCC7CCCN7

InChI

InChI=1S/C34H39N9O/c1-24(26-11-8-20-42(22-26)34(44)40-29-15-6-10-25-9-2-3-13-28(25)29)39-33-36-19-17-32(41-33)43(38-21-27-12-7-18-35-27)23-37-30-14-4-5-16-31(30)43/h2-6,9-10,13-17,19,23-24,26-27,35,38H,7-8,11-12,18,20-22H2,1H3,(H-,36,39,40,41,44)/p+1