3-(diethylamino)-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-3-(diethylamino)cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-3-(diethylamino)cyclohexa-2,4-dien-1-one Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNN2CC[NH+](CC2)CC3=CC=CC=C3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNN2CC[NH+](CC2)CC3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H30N4O/c1-3-25(4-2)21-11-10-20(22(27)16-21)17-23-26-14-12-24(13-15-26)18-19-8-6-5-7-9-19/h5-11,16-17,23H,3-4,12-15,18H2,1-2H3/p+1