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

Systemtic Name: ethyl 1-[(1-methylbenzimidazol-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-methyl-2-benzimidazolyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-3-29-23(28)24(17-19-9-5-4-6-10-19)13-15-27(16-14-24)18-22-25-20-11-7-8-12-21(20)26(22)2/h4-12H,3,13-18H2,1-2H3/p+1