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

Systemtic Name: (3-cyanophenyl)-ethanoyl-(4-propan-2-ylphenyl)-[(1-propylimidazol-4-yl)methylamino]azanium Openeye Name: acetyl-(3-cyanophenyl)-(4-isopropylphenyl)-[(1-propylimidazol-4-yl)methylamino]ammonium CAS Name: acetyl-(3-cyanophenyl)-(4-propan-2-ylphenyl)-[(1-propyl-4-imidazolyl)methylamino]ammonium IUPAC Name: acetyl-(3-cyanophenyl)-(4-propan-2-ylphenyl)-[(1-propylimidazol-4-yl)methylamino]azanium Traditional Name: acetyl-(3-cyanophenyl)-p-cumenyl-[(1-propylimidazol-4-yl)methylamino]ammonium Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CN[N+](C2=CC=C(C=C2)C(C)C)(C3=CC=CC(=C3)C#N)C(=O)C

Isomeric SMILES

CCCN1C=C(N=C1)CN[N+](C2=CC=C(C=C2)C(C)C)(C3=CC=CC(=C3)C#N)C(=O)C

InChI

InChI=1S/C25H30N5O/c1-5-13-29-17-23(27-18-29)16-28-30(20(4)31,25-8-6-7-21(14-25)15-26)24-11-9-22(10-12-24)19(2)3/h6-12,14,17-19,28H,5,13,16H2,1-4H3/q+1