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

Systemtic Name: methyl 1-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-carboxylate Openeye Name: methyl 1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-carboxylic acid methyl ester Formula: C26H30ClN4O6S+ MolecularWeight: 562.0576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C26H30ClN4O6S/c1-36-26(33)31(38(34,35)23-14-20-2-3-21(27)15-24(20)37-18-23)13-12-30(25(32)17-31)16-19-6-10-29(11-7-19)22-4-8-28-9-5-22/h2-5,8-9,14-15,19H,6-7,10-13,16-18H2,1H3/q+1