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

Systemtic Name: [1-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] propanoate Openeye Name: [1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl] propanoate CAS Name: propanoic acid [1-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl] ester IUPAC Name: [1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] propanoate Traditional Name: propionic acid [1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl] ester Formula: C27H32ClN4O6S+ MolecularWeight: 576.08418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

Isomeric SMILES

CCC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

InChI

InChI=1S/C27H32ClN4O6S/c1-2-27(34)38-32(39(35,36)24-15-21-3-4-22(28)16-25(21)37-19-24)14-13-31(26(33)18-32)17-20-7-11-30(12-8-20)23-5-9-29-10-6-23/h3-6,9-10,15-16,20H,2,7-8,11-14,17-19H2,1H3/q+1