1,6-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one

Systemtic Name: 1,6-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one Openeye Name: 1,6-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one CAS Name: 1,6-dimethyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-quinolinone IUPAC Name: 1,6-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]quinolin-2-one Traditional Name: 1,6-dimethyl-3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]carbostyril Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H24N4O/c1-16-6-7-19-17(13-16)14-18(21(26)23(19)2)15-24-9-11-25(12-10-24)20-5-3-4-8-22-20/h3-8,13-14H,9-12,15H2,1-2H3/p+1