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

Systemtic Name: 1-adamantyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H28N2O3S/c1-11-12(2)26-18(17(11)19(24)25-3)22-16(23)10-21-20-7-13-4-14(8-20)6-15(5-13)9-20/h13-15,21H,4-10H2,1-3H3,(H,22,23)/p+1