(5-chloranylthiophen-2-yl)methyl-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,4-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,4-dimethylanilino)-2-keto-ethyl]ammonium Formula: C18H22ClN2OS+ MolecularWeight: 349.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl)C

InChI

InChI=1S/C18H21ClN2OS/c1-4-9-21(11-15-6-8-17(19)23-15)12-18(22)20-16-7-5-13(2)10-14(16)3/h4-8,10H,1,9,11-12H2,2-3H3,(H,20,22)/p+1