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

Systemtic Name: 2,6-ditert-butyl-4-[[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[[[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[[[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C30H40N3O+ MolecularWeight: 458.6581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C30H39N3O/c1-29(2,3)26-18-22(19-27(28(26)34)30(4,5)6)20-31-33-16-14-32(15-17-33)21-24-12-9-11-23-10-7-8-13-25(23)24/h7-13,18-20,31H,14-17,21H2,1-6H3/p+1