methyl 4-(3-oxidanidyl-2-piperidin-4-yl-3-propyl-2H-benzimidazol-3-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: methyl 4-(3-oxidanidyl-2-piperidin-4-yl-3-propyl-2H-benzimidazol-3-ium-1-yl)piperidine-1-carboxylate Openeye Name: methyl 4-[3-oxido-2-(4-piperidyl)-3-propyl-2H-benzimidazol-3-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-oxido-2-(4-piperidinyl)-3-propyl-2H-benzimidazol-3-ium-1-yl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-oxido-2-piperidin-4-yl-3-propyl-2H-benzimidazol-3-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-[3-oxido-2-(4-piperidyl)-3-propyl-2H-benzimidazol-3-ium-1-yl]piperidine-1-carboxylic acid methyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(N(C2=CC=CC=C21)C3CCN(CC3)C(=O)OC)C4CCNCC4)[O-]

Isomeric SMILES

CCC[N+]1(C(N(C2=CC=CC=C21)C3CCN(CC3)C(=O)OC)C4CCNCC4)[O-]

InChI

InChI=1S/C22H34N4O3/c1-3-16-26(28)20-7-5-4-6-19(20)25(21(26)17-8-12-23-13-9-17)18-10-14-24(15-11-18)22(27)29-2/h4-7,17-18,21,23H,3,8-16H2,1-2H3