[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: [2-(3-cyanoanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylazanium Traditional Name: [2-(3-cyanoanilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-ethyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H25N3O3/c1-4-24(14-17-9-10-19(27-5-2)20(12-17)26-3)15-21(25)23-18-8-6-7-16(11-18)13-22/h6-12H,4-5,14-15H2,1-3H3,(H,23,25)/p+1