[bis(1-tert-butyl-4-phenyl-cyclohexa-2,4-dien-1-yl)amino]-triphenyl-azanium

Systemtic Name: [bis(1-tert-butyl-4-phenyl-cyclohexa-2,4-dien-1-yl)amino]-triphenyl-azanium Openeye Name: [bis(1-tert-butyl-4-phenyl-cyclohexa-2,4-dien-1-yl)amino]-triphenyl-ammonium CAS Name: [bis(1-tert-butyl-4-phenyl-1-cyclohexa-2,4-dienyl)amino]-triphenylammonium IUPAC Name: [bis(1-tert-butyl-4-phenylcyclohexa-2,4-dien-1-yl)amino]-triphenylazanium Traditional Name: [bis(1-tert-butyl-4-phenyl-cyclohexa-2,4-dien-1-yl)amino]-triphenyl-ammonium Formula: C50H53N2+ MolecularWeight: 681.96922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC=C(C=C1)C2=CC=CC=C2)N(C3(CC=C(C=C3)C4=CC=CC=C4)C(C)(C)C)[N+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC(C)(C)C1(CC=C(C=C1)C2=CC=CC=C2)N(C3(CC=C(C=C3)C4=CC=CC=C4)C(C)(C)C)[N+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C50H53N2/c1-47(2,3)49(36-32-42(33-37-49)40-22-12-7-13-23-40)51(50(48(4,5)6)38-34-43(35-39-50)41-24-14-8-15-25-41)52(44-26-16-9-17-27-44,45-28-18-10-19-29-45)46-30-20-11-21-31-46/h7-36,38H,37,39H2,1-6H3/q+1