2-methoxy-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[[(4-pyridin-1-ium-2-ylpiperazino)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=CC1=O

InChI

InChI=1S/C17H20N4O2/c1-23-16-12-14(5-6-15(16)22)13-19-21-10-8-20(9-11-21)17-4-2-3-7-18-17/h2-7,12-13,19H,8-11H2,1H3/p+1