(5-chloranylthiophen-2-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C18H22ClN2OS+ MolecularWeight: 349.89808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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