1-(diphenylmethyl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(4-methoxy-3-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C25H29N2O3S+ MolecularWeight: 437.57436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S/c1-20-19-23(13-14-24(20)30-2)31(28,29)27-17-15-26(16-18-27)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,25H,15-18H2,1-2H3/p+1