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

Systemtic Name: [2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-cyclooctylazanium Traditional Name: cyclooctyl-[2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C19H29N2O5S+ MolecularWeight: 397.50896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C2CCCCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C2CCCCCCC2)C(=O)OC

InChI

InChI=1S/C19H28N2O5S/c1-12-15(18(23)25-2)17(27-16(12)19(24)26-3)21-14(22)11-20-13-9-7-5-4-6-8-10-13/h13,20H,4-11H2,1-3H3,(H,21,22)/p+1