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

Systemtic Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H28N4O4S/c1-30-19-5-7-20(8-6-19)31(28,29)26-12-9-18(10-13-26)22(27)25-16-14-24(15-17-25)21-4-2-3-11-23-21/h2-8,11,18H,9-10,12-17H2,1H3/p+1