[(3-cyanophenyl)amino]-ethanoyl-(phenylmethyl)-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: [(3-cyanophenyl)amino]-ethanoyl-(phenylmethyl)-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-benzyl-(3-cyanoanilino)-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-cyanoanilino)-(phenylmethyl)-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-benzyl-(3-cyanoanilino)-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-benzyl-(3-cyanoanilino)-(4-isopropoxyphenyl)ammonium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](CC2=CC=CC=C2)(C(=O)C)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](CC2=CC=CC=C2)(C(=O)C)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H26N3O2/c1-19(2)30-25-14-12-24(13-15-25)28(20(3)29,18-21-8-5-4-6-9-21)27-23-11-7-10-22(16-23)17-26/h4-16,19,27H,18H2,1-3H3/q+1