1-adamantyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[(6S)-3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]ammonium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S/c1-13-3-4-17-18(5-13)29-21(20(17)22(27)28-2)25-19(26)12-24-23-9-14-6-15(10-23)8-16(7-14)11-23/h13-16,24H,3-12H2,1-2H3,(H,25,26)/p+1/t13-,14?,15?,16?,23?/m0/s1