(3-cyanophenyl)-ethanoyl-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: (3-cyanophenyl)-ethanoyl-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-cyanophenyl)-[(4-ethylphenyl)methylamino]-(4-isopropoxyphenyl)ammonium CAS Name: acetyl-(3-cyanophenyl)-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-cyanophenyl)-[(4-ethylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-(3-cyanophenyl)-[(4-ethylbenzyl)amino]-(4-isopropoxyphenyl)ammonium Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN[N+](C2=CC=C(C=C2)OC(C)C)(C3=CC=CC(=C3)C#N)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN[N+](C2=CC=C(C=C2)OC(C)C)(C3=CC=CC(=C3)C#N)C(=O)C

InChI

InChI=1S/C27H30N3O2/c1-5-22-9-11-23(12-10-22)19-29-30(21(4)31,26-8-6-7-24(17-26)18-28)25-13-15-27(16-14-25)32-20(2)3/h6-17,20,29H,5,19H2,1-4H3/q+1