[4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium-1-yl]methyl benzoate

Systemtic Name: [4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium-1-yl]methyl benzoate Openeye Name: [4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium-1-yl]methyl benzoate CAS Name: benzoic acid [4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-piperazin-1-iumyl]methyl ester IUPAC Name: [4-[(4-chlorophenyl)-phenylmethyl]-1-methylpiperazin-1-ium-1-yl]methyl benzoate Traditional Name: benzoic acid [4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium-1-yl]methyl ester Formula: C26H28ClN2O2+ MolecularWeight: 435.96572

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN2O2/c1-29(20-31-26(30)23-10-6-3-7-11-23)18-16-28(17-19-29)25(21-8-4-2-5-9-21)22-12-14-24(27)15-13-22/h2-15,25H,16-20H2,1H3/q+1