2,6-ditert-butyl-4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O/c1-25(2,3)22-16-21(17-23(24(22)30)26(4,5)6)18-27-29-14-12-28(13-15-29)19-20-10-8-7-9-11-20/h7-11,16-18,27H,12-15,19H2,1-6H3/p+1