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

Systemtic Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O3S/c1-16-13-19(25-3)20(14-17(16)2)26(23,24)22-11-9-21(10-12-22)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3/p+1