N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H29N3O3S/c1-15-6-3-4-9-18(15)20-19(23)16-7-5-8-17(14-16)26(24,25)22-12-10-21(2)11-13-22/h5,7-8,14-15,18H,3-4,6,9-13H2,1-2H3,(H,20,23)/p+1/t15-,18+/m0/s1