[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H30N4O3S/c1-18-6-7-21(17-19(18)2)31(29,30)27-11-8-20(9-12-27)23(28)26-15-13-25(14-16-26)22-5-3-4-10-24-22/h3-7,10,17,20H,8-9,11-16H2,1-2H3/p+1