6-chloranyl-4-ethyl-7-oxidanyl-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-2-one dihydrochloride

Systemtic Name: 6-chloranyl-4-ethyl-7-oxidanyl-8-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]chromen-2-one dihydrochloride Openeye Name: 8-[[(1-benzyl-4-piperidyl)amino]methyl]-6-chloro-4-ethyl-7-hydroxy-chromen-2-one dihydrochloride CAS Name: 6-chloro-4-ethyl-7-hydroxy-8-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 8-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-chloro-4-ethyl-7-hydroxychromen-2-one dihydrochloride Traditional Name: 8-[[(1-benzyl-4-piperidyl)amino]methyl]-6-chloro-4-ethyl-7-hydroxy-coumarin dihydrochloride Formula: C24H29Cl3N2O3 MolecularWeight: 499.85766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNC3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H27ClN2O3.2ClH/c1-2-17-12-22(28)30-24-19(17)13-21(25)23(29)20(24)14-26-18-8-10-27(11-9-18)15-16-6-4-3-5-7-16;;/h3-7,12-13,18,26,29H,2,8-11,14-15H2,1H3;2*1H