[4-[(S)-(2-methylphenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(S)-(2-methylphenyl)-phenyl-methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(S)-o-tolyl(phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(S)-(2-methylphenyl)-phenylmethyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(S)-(2-methylphenyl)-phenylmethyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(S)-o-tolyl(phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C25H27N2O+ MolecularWeight: 371.49468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O/c1-20-10-8-9-15-23(20)24(21-11-4-2-5-12-21)26-16-18-27(19-17-26)25(28)22-13-6-3-7-14-22/h2-15,24H,16-19H2,1H3/p+1/t24-/m0/s1