cyclohexyl-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: cyclohexyl-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: cyclohexyl-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: cyclohexyl-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: cyclohexyl-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[[(6R)-3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C21H33N2O3S+ MolecularWeight: 393.56332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C[NH+](C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-11-10-14(2)12-17(16)27-20(19)22-18(24)13-23(3)15-8-6-5-7-9-15/h14-15H,4-13H2,1-3H3,(H,22,24)/p+1/t14-/m1/s1