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

Systemtic Name: 4-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]propylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[(4-pyridin-1-ium-2-ylpiperazino)amino]propylidene]cyclohexa-2,5-dien-1-one Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC(=O)C=C1)NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC(=C1C=CC(=O)C=C1)NN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O/c1-2-17(15-6-8-16(23)9-7-15)20-22-13-11-21(12-14-22)18-5-3-4-10-19-18/h3-10,20H,2,11-14H2,1H3/p+1