2,4-dimethyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 2,4-dimethyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 2,4-dimethyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: 2,4-dimethyl-N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]benzenesulfonamide IUPAC Name: 2,4-dimethyl-N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 2,4-dimethyl-N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(C)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N[C@H](C)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H31N3O2S/c1-18-9-10-22(19(2)17-18)28(26,27)23-20(3)11-12-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h4-10,17,20,23H,11-16H2,1-3H3/p+1/t20-/m1/s1