[(3-cyanophenyl)amino]-ethanoyl-[(E)-4-phenylmethoxybut-2-enyl]-(4-propan-2-ylphenyl)azanium

Systemtic Name: [(3-cyanophenyl)amino]-ethanoyl-[(E)-4-phenylmethoxybut-2-enyl]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-[(E)-4-benzyloxybut-2-enyl]-(3-cyanoanilino)-(4-isopropylphenyl)ammonium CAS Name: acetyl-(3-cyanoanilino)-[(E)-4-phenylmethoxybut-2-enyl]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-cyanoanilino)-[(E)-4-phenylmethoxybut-2-enyl]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-[(E)-4-benzoxybut-2-enyl]-(3-cyanoanilino)-p-cumenyl-ammonium Formula: C29H32N3O2+ MolecularWeight: 454.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](CC=CCOCC2=CC=CC=C2)(C(=O)C)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C/C=C/COCC2=CC=CC=C2)(C(=O)C)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C29H32N3O2/c1-23(2)27-14-16-29(17-15-27)32(24(3)33,31-28-13-9-12-26(20-28)21-30)18-7-8-19-34-22-25-10-5-4-6-11-25/h4-17,20,23,31H,18-19,22H2,1-3H3/q+1/b8-7+