[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: [6-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[6-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]CC2=CC(=C3NC=CC=N3)C=CC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH2+]CC2=CC(=C3NC=CC=N3)C=CC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-22-8-7-19(23-24-11-4-12-25-23)15-20(22)16-26-21-9-13-27(14-10-21)17-18-5-2-1-3-6-18/h1-8,11-12,15,21,24,26H,9-10,13-14,16-17H2/p+2