[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium

Systemtic Name: [3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-azanium Openeye Name: [3-(4-cyanoanilino)-3-oxo-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: [3-(4-cyanoanilino)-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylammonium IUPAC Name: [3-(4-cyanoanilino)-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [3-(4-cyanoanilino)-3-keto-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=C(C=C1)C#N)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21N3O3/c1-23(14-16-4-7-18-19(12-16)26-11-10-25-18)9-8-20(24)22-17-5-2-15(13-21)3-6-17/h2-7,12H,8-11,14H2,1H3,(H,22,24)/p+1