1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one

Systemtic Name: 1-(2-chloranylprop-2-enyl)-6,7-dimethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Openeye Name: 1-(2-chloroallyl)-6,7-dimethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one CAS Name: 1-(2-chloroprop-2-enyl)-6,7-dimethoxy-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-quinolinone IUPAC Name: 1-(2-chloroprop-2-enyl)-6,7-dimethoxy-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-2-one Traditional Name: 1-(2-chloroallyl)-6,7-dimethoxy-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]carbostyril Formula: C23H27ClN5O3+ MolecularWeight: 456.94518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=C)Cl)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C23H26ClN5O3/c1-16(24)14-29-19-13-21(32-3)20(31-2)12-17(19)11-18(22(29)30)15-27-7-9-28(10-8-27)23-25-5-4-6-26-23/h4-6,11-13H,1,7-10,14-15H2,2-3H3/p+1