[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C)C

InChI

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