4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H30N4O3S/c1-15-12-16(2)14-23(13-15)27(25,26)18-6-4-17(5-7-18)19(24)20-22-10-8-21(3)9-11-22/h4-7,15-16H,8-14H2,1-3H3,(H,20,24)/p+1/t15-,16-/m1/s1