(3-cyanophenyl)-ethanoyl-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: (3-cyanophenyl)-ethanoyl-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-cyanophenyl)-(4-isopropoxyphenyl)-(2-methylallylamino)ammonium CAS Name: acetyl-(3-cyanophenyl)-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-cyanophenyl)-(2-methylprop-2-enylamino)-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-cyanophenyl)-(4-isopropoxyphenyl)-(2-methylallylamino)ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC(=C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC(=C)C

InChI

InChI=1S/C22H26N3O2/c1-16(2)15-24-25(18(5)26,21-8-6-7-19(13-21)14-23)20-9-11-22(12-10-20)27-17(3)4/h6-13,17,24H,1,15H2,2-5H3/q+1