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

Systemtic Name: azepan-2-ylidene-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-(4-chlorophenyl)azanium Openeye Name: azepan-2-ylidene-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-(4-chlorophenyl)ammonium CAS Name: 2-azepanylidene-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-(4-chlorophenyl)ammonium IUPAC Name: azepan-2-ylidene-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-(4-chlorophenyl)azanium Traditional Name: azepan-2-ylidene-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-(4-chlorophenyl)ammonium Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)NCC1

InChI

InChI=1S/C21H21ClN2O3/c22-16-6-8-17(9-7-16)24(21-4-2-1-3-11-23-21)13-18(25)15-5-10-19-20(12-15)27-14-26-19/h5-10,12H,1-4,11,13-14H2/p+1