(4-aminocarbonylphenyl)methyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-azanium Openeye Name: (4-carbamoylphenyl)methyl-[2-(3-cyanoanilino)-2-oxo-ethyl]-cyclopropyl-ammonium CAS Name: (4-carbamoylphenyl)methyl-[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylammonium IUPAC Name: (4-carbamoylphenyl)methyl-[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylazanium Traditional Name: (4-carbamoylbenzyl)-[2-(3-cyanoanilino)-2-keto-ethyl]-cyclopropyl-ammonium Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)C(=O)N)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N4O2/c21-11-15-2-1-3-17(10-15)23-19(25)13-24(18-8-9-18)12-14-4-6-16(7-5-14)20(22)26/h1-7,10,18H,8-9,12-13H2,(H2,22,26)(H,23,25)/p+1