[2-[(2-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(2-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(2-methoxycarbonyl-N-methyl-anilino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-(2-carbomethoxy-N-methyl-anilino)-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N(C)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N(C)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-18(10-13-8-9-23-12-13)11-16(20)19(2)15-7-5-4-6-14(15)17(21)22-3/h4-9,12H,10-11H2,1-3H3/p+1