[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CS2)C#N)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CS2)C#N)C3CC3

InChI

InChI=1S/C18H19N3O2S/c1-23-16-6-2-13(3-7-16)11-21(15-4-5-15)12-17(22)20-18-14(10-19)8-9-24-18/h2-3,6-9,15H,4-5,11-12H2,1H3,(H,20,22)/p+1