N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethyl-benzenesulfonamide Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C23H34N4O2S/c1-18-6-11-22(16-19(18)2)30(28,29)24-17-23(27-14-12-26(5)13-15-27)20-7-9-21(10-8-20)25(3)4/h6-11,16,23-24H,12-15,17H2,1-5H3/p+1/t23-/m1/s1