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

Systemtic Name: (3-cyanophenyl)-ethanoyl-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Openeye Name: acetyl-(3-cyanophenyl)-(4-isopropoxyphenyl)-[(3-methoxycarbonylphenyl)methylamino]ammonium CAS Name: acetyl-(3-cyanophenyl)-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-(3-cyanophenyl)-[(3-methoxycarbonylphenyl)methylamino]-(4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-[(3-carbomethoxybenzyl)amino]-(3-cyanophenyl)-(4-isopropoxyphenyl)ammonium Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[N+](C2=CC=CC(=C2)C#N)(C(=O)C)NCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C27H28N3O4/c1-19(2)34-26-13-11-24(12-14-26)30(20(3)31,25-10-6-7-21(16-25)17-28)29-18-22-8-5-9-23(15-22)27(32)33-4/h5-16,19,29H,18H2,1-4H3/q+1