4-[1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O/c1-16(18-7-9-19(23)10-8-18)20-22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3/p+1