(5-chloranylthiophen-2-yl)methyl-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2-cyanoanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2-cyanoanilino)-2-keto-ethyl]ammonium Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC2=CC=CC=C2C#N

InChI

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