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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CN(C2=CC=CC=C21)C3CCN(CC3)C4CCN(CC4)C(=O)OC)[O-]

Isomeric SMILES

CCC[N+]1(CN(C2=CC=CC=C21)C3CCN(CC3)C4CCN(CC4)C(=O)OC)[O-]

InChI

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