4-(4-ethenylphenyl)sulfonyl-4-oxidanyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one hydrochloride

Systemtic Name: 4-(4-ethenylphenyl)sulfonyl-4-oxidanyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one hydrochloride Openeye Name: 4-hydroxy-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-2-one hydrochloride CAS Name: 4-(4-ethenylphenyl)sulfonyl-4-hydroxy-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazin-4-iumone hydrochloride IUPAC Name: 4-(4-ethenylphenyl)sulfonyl-4-hydroxy-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one hydrochloride Traditional Name: 4-hydroxy-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-2-one hydrochloride Formula: C23H30ClN4O4S+ MolecularWeight: 494.0267

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4)O.Cl

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)[N+]2(CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4)O.Cl

InChI

InChI=1S/C23H29N4O4S.ClH/c1-2-19-3-5-22(6-4-19)32(30,31)27(29)16-15-26(23(28)18-27)17-20-9-13-25(14-10-20)21-7-11-24-12-8-21;/h2-8,11-12,20,29H,1,9-10,13-18H2;1H/q+1;