[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H26ClN4O3S+ MolecularWeight: 449.97414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN4O3S/c22-18-4-6-19(7-5-18)30(28,29)26-11-8-17(9-12-26)21(27)25-15-13-24(14-16-25)20-3-1-2-10-23-20/h1-7,10,17H,8-9,11-16H2/p+1