1-[4-[3-[[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[(7-methoxy-4-methyl-2-quinolin-1-iumyl)amino]methyl]-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[(7-methoxy-4-methylquinolin-1-ium-2-yl)amino]methyl]pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)amino]methyl]pyridin-1-ium-2-yl]piperazino]ethanone Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)NCC3=C([NH+]=CC=C3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)NCC3=C([NH+]=CC=C3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H27N5O2/c1-16-13-22(26-21-14-19(30-3)6-7-20(16)21)25-15-18-5-4-8-24-23(18)28-11-9-27(10-12-28)17(2)29/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,26)/p+2