[2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methylquinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-7-chloro-8-methyl-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C27H24ClN4O3+ MolecularWeight: 487.95746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C27H23ClN4O3/c1-17-21(28)7-6-19-20(27(33)32-12-10-31(11-13-32)25-4-2-3-9-29-25)15-22(30-26(17)19)18-5-8-23-24(14-18)35-16-34-23/h2-9,14-15H,10-13,16H2,1H3/p+1