2-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]phenol CAS Name: 2-[(S)-(4-methylphenyl)-(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 2-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]phenol Formula: C24H27N2O+ MolecularWeight: 359.48398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O/c1-19-11-13-20(14-12-19)24(22-9-5-6-10-23(22)27)26-17-15-25(16-18-26)21-7-3-2-4-8-21/h2-14,24,27H,15-18H2,1H3/p+1/t24-/m0/s1