[4-[(S)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-[(S)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-[(S)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-(p-tolyl)methanone CAS Name: [4-[(S)-(4-chlorophenyl)-phenylmethyl]-1-piperazin-4-iumyl]-(4-methylphenyl)methanone IUPAC Name: [4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-4-ium-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[(S)-(4-chlorophenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-(p-tolyl)methanone Formula: C25H26ClN2O+ MolecularWeight: 405.93974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3/p+1/t24-/m0/s1