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

Systemtic Name: 6-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[1-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]ethylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]ethylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[1-[(4-pyridin-1-ium-2-ylpiperazino)amino]ethylidene]cyclohexa-2,4-dien-1-one Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=C1C=CC=CC1=O)NN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4O/c1-14(15-6-2-3-7-16(15)22)19-21-12-10-20(11-13-21)17-8-4-5-9-18-17/h2-9,19H,10-13H2,1H3/p+1