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

Systemtic Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-bromophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(1,3-benzodioxol-5-yl)-[2-(4-bromophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-bromophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(1,3-benzodioxol-5-yl)-[2-(4-bromophenyl)-2-keto-ethyl]ammonium Formula: C21H22BrN2O3+ MolecularWeight: 430.31498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4)NCC1

InChI

InChI=1S/C21H21BrN2O3/c22-16-7-5-15(6-8-16)18(25)13-24(21-4-2-1-3-11-23-21)17-9-10-19-20(12-17)27-14-26-19/h5-10,12H,1-4,11,13-14H2/p+1