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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(5-chloranylthiophen-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-allyl-[(5-chloro-2-thienyl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-chloro-2-thiophenyl)methyl]-prop-2-enylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(5-chlorothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-allyl-[(5-chloro-2-thienyl)methyl]ammonium Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-3-10-22(11-16-8-9-17(19)25-16)12-18(24)21-15-6-4-14(5-7-15)20-13(2)23/h3-9H,1,10-12H2,2H3,(H,20,23)(H,21,24)/p+1