4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-4-oxidanyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-4-oxidanyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-4-hydroxy-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-4-ium-2-one CAS Name: 4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-4-hydroxy-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-4-hydroxy-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-4-hydroxy-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-4-ium-2-one Formula: C24H28ClN4O5S+ MolecularWeight: 520.02092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC[N+](CC2=O)(O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CC[N+](CC2=O)(O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C5=CC=NC=C5

InChI

InChI=1S/C24H28ClN4O5S/c25-20-2-1-19-13-22(17-34-23(19)14-20)35(32,33)29(31)12-11-28(24(30)16-29)15-18-5-9-27(10-6-18)21-3-7-26-8-4-21/h1-4,7-8,13-14,18,31H,5-6,9-12,15-17H2/q+1