azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-phenyl-azanium

Systemtic Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-phenyl-azanium Openeye Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-phenyl-ammonium CAS Name: 2-azepanylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-phenylammonium IUPAC Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-phenylazanium Traditional Name: azepan-2-ylidene-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-phenyl-ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)NCC1

InChI

InChI=1S/C22H24N2O3/c25-19(17-10-11-20-21(15-17)27-14-13-26-20)16-24(18-7-3-1-4-8-18)22-9-5-2-6-12-23-22/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14,16H2/p+1