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

Systemtic Name: 4-[1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]propylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]propylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[(4-benzylpiperazin-4-ium-1-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-2-20(18-8-10-19(24)11-9-18)21-23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11,21H,2,12-16H2,1H3/p+1