1-(diphenylmethyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(5-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C26H31N2O3S+ MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N2O3S/c1-20-18-21(2)25(19-24(20)31-3)32(29,30)28-16-14-27(15-17-28)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,18-19,26H,14-17H2,1-3H3/p+1