N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3CC3)C

InChI

InChI=1S/C19H29N3O3S/c1-14-4-7-18(15(2)12-14)26(24,25)22-10-8-21(9-11-22)13-19(23)20-16(3)17-5-6-17/h4,7,12,16-17H,5-6,8-11,13H2,1-3H3,(H,20,23)/p+1/t16-/m1/s1