[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O3S/c1-12-13(2)24-17(16(12)18(22)23-4)19-15(21)11-20(3)10-14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,21)/p+1