(5-bromanylthiophen-2-yl)methyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(3-cyanoanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(3-cyanoanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(3-cyanoanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(3-cyanoanilino)-2-keto-ethyl]ammonium Formula: C17H17BrN3OS+ MolecularWeight: 391.30538

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H16BrN3OS/c1-2-8-21(11-15-6-7-16(18)23-15)12-17(22)20-14-5-3-4-13(9-14)10-19/h2-7,9H,1,8,11-12H2,(H,20,22)/p+1