methyl 6-[4-(4,8-dimethylquinolin-1-ium-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(4,8-dimethylquinolin-1-ium-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(4,8-dimethylquinolin-1-ium-2-yl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(4,8-dimethyl-2-quinolin-1-iumyl)-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4,8-dimethylquinolin-1-ium-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4,8-dimethylquinolin-1-ium-2-yl)piperazino]nicotinic acid methyl ester Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1[NH+]=C(C=C2C)N3CCN(CC3)C4=NC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1[NH+]=C(C=C2C)N3CCN(CC3)C4=NC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H24N4O2/c1-15-5-4-6-18-16(2)13-20(24-21(15)18)26-11-9-25(10-12-26)19-8-7-17(14-23-19)22(27)28-3/h4-8,13-14H,9-12H2,1-3H3/p+1