ethyl 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-2-benzimidazolyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-3-31-25(30)26(15-9-12-21-10-5-4-6-11-21)16-18-29(19-17-26)20-24-27-22-13-7-8-14-23(22)28(24)2/h4-8,10-11,13-14H,3,9,12,15-20H2,1-2H3/p+1