3-(diethylamino)-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[(4-pyridin-1-ium-2-ylpiperazino)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=C1

InChI

InChI=1S/C20H27N5O/c1-3-23(4-2)18-9-8-17(19(26)15-18)16-22-25-13-11-24(12-14-25)20-7-5-6-10-21-20/h5-10,15-16,22H,3-4,11-14H2,1-2H3/p+1