azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]azanium

Systemtic Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]azanium Openeye Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium CAS Name: 2-azepanylidene-(1,3-benzodioxol-5-yl)-[2-oxo-2-(4-phenylphenyl)ethyl]ammonium IUPAC Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-oxo-2-(4-phenylphenyl)ethyl]azanium Traditional Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-keto-2-(4-phenylphenyl)ethyl]ammonium Formula: C27H27N2O3+ MolecularWeight: 427.51488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)NCC1

InChI

InChI=1S/C27H26N2O3/c30-24(22-12-10-21(11-13-22)20-7-3-1-4-8-20)18-29(27-9-5-2-6-16-28-27)23-14-15-25-26(17-23)32-19-31-25/h1,3-4,7-8,10-15,17H,2,5-6,9,16,18-19H2/p+1