(3-cyanophenyl)-ethanoyl-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium

Systemtic Name: (3-cyanophenyl)-ethanoyl-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium Openeye Name: acetyl-(3-cyanophenyl)-(4-isopropylphenyl)-[(1-methylimidazol-4-yl)methylamino]ammonium CAS Name: acetyl-(3-cyanophenyl)-[(1-methyl-4-imidazolyl)methylamino]-(4-propan-2-ylphenyl)ammonium IUPAC Name: acetyl-(3-cyanophenyl)-[(1-methylimidazol-4-yl)methylamino]-(4-propan-2-ylphenyl)azanium Traditional Name: acetyl-(3-cyanophenyl)-[(1-methylimidazol-4-yl)methylamino]-p-cumenyl-ammonium Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CN(C=N3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CN(C=N3)C

InChI

InChI=1S/C23H26N5O/c1-17(2)20-8-10-22(11-9-20)28(18(3)29,23-7-5-6-19(12-23)13-24)26-14-21-15-27(4)16-25-21/h5-12,15-17,26H,14H2,1-4H3/q+1