[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C=CC[NH+](CC1=CC=CS1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C17H16ClN3OS/c1-2-7-21(11-15-4-3-8-23-15)12-17(22)20-14-6-5-13(10-19)16(18)9-14/h2-6,8-9H,1,7,11-12H2,(H,20,22)/p+1