1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]piperazin-1-ium CAS Name: 1-[(S)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(S)-(2,4-dimethoxy-3-methylphenyl)sulfinyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[(S)-(2,4-dimethoxy-3-methyl-phenyl)sulfinyl]piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)S(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)[S@](=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O3S/c1-16-18(24-2)9-10-19(20(16)25-3)26(23)22-13-11-21(12-14-22)15-17-7-5-4-6-8-17/h4-10H,11-15H2,1-3H3/p+1/t26-/m0/s1