(2-bromophenyl)methyl-[(3-cyanophenyl)amino]-ethanoyl-(4-propan-2-ylphenyl)azanium

Systemtic Name: (2-bromophenyl)methyl-[(3-cyanophenyl)amino]-ethanoyl-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-[(2-bromophenyl)methyl]-(3-cyanoanilino)-(4-isopropylphenyl)ammonium CAS Name: acetyl-[(2-bromophenyl)methyl]-(3-cyanoanilino)-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-[(2-bromophenyl)methyl]-(3-cyanoanilino)-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(2-bromobenzyl)-(3-cyanoanilino)-p-cumenyl-ammonium Formula: C25H25BrN3O+ MolecularWeight: 463.3895

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](CC2=CC=CC=C2Br)(C(=O)C)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](CC2=CC=CC=C2Br)(C(=O)C)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H25BrN3O/c1-18(2)21-11-13-24(14-12-21)29(19(3)30,17-22-8-4-5-10-25(22)26)28-23-9-6-7-20(15-23)16-27/h4-15,18,28H,17H2,1-3H3/q+1