3-(4-chlorophenyl)-1-(phenylmethyl)-2-piperidin-4-yl-piperazin-1-ium-1-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-1-(phenylmethyl)-2-piperidin-4-yl-piperazin-1-ium-1-carboxylic acid Openeye Name: 1-benzyl-3-(4-chlorophenyl)-2-(4-piperidyl)piperazin-1-ium-1-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-(phenylmethyl)-2-(4-piperidinyl)-1-piperazin-1-iumcarboxylic acid IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-2-piperidin-4-ylpiperazin-1-ium-1-carboxylic acid Traditional Name: 1-benzyl-3-(4-chlorophenyl)-2-(4-piperidyl)piperazin-1-ium-1-carboxylic acid Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2C(NCC[N+]2(CC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CNCCC1C2C(NCC[N+]2(CC3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O2/c24-20-8-6-18(7-9-20)21-22(19-10-12-25-13-11-19)27(23(28)29,15-14-26-21)16-17-4-2-1-3-5-17/h1-9,19,21-22,25-26H,10-16H2/p+1