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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzenesulfonamide Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-18-6-5-7-21(16-18)29(27,28)23-17-22(26-14-12-25(4)13-15-26)19-8-10-20(11-9-19)24(2)3/h5-11,16,22-23H,12-15,17H2,1-4H3/p+1/t22-/m1/s1