azepan-2-ylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacyl-azanium

Systemtic Name: azepan-2-ylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacyl-azanium Openeye Name: azepan-2-ylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacyl-ammonium CAS Name: 2-azepanylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacylammonium IUPAC Name: azepan-2-ylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacylazanium Traditional Name: azepan-2-ylidene-(2,3-dihydro-1,4-benzodioxin-6-yl)-phenacyl-ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4)NCC1

Isomeric SMILES

C1CCC(=[N+](CC(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4)NCC1

InChI

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