1-adamantyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3-carbethoxy-5-isopropyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O3S/c1-4-27-21(26)17-8-18(13(2)3)28-20(17)24-19(25)12-23-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,13-16,23H,4-7,9-12H2,1-3H3,(H,24,25)/p+1