1-[(2-oxidanylidene-3-propyl-benzimidazol-1-yl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-oxidanylidene-3-propyl-benzimidazol-1-yl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-oxo-3-propyl-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-oxo-3-propyl-1-benzimidazolyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-oxo-3-propylbenzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2-keto-3-propyl-benzimidazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c1-2-14-27-21-10-6-7-11-22(21)28(24(27)30)18-26-15-12-20(13-16-26)23(29)25-17-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,25,29)/p+1