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

Systemtic Name: cyclopentyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: cyclopentyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: cyclopentyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-dimethylammonium IUPAC Name: cyclopentyl-[2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-[[(6S)-3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]-cyclopentyl-dimethyl-ammonium Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[N+](C)(C)C3CCCC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[N+](C)(C)C3CCCC3

InChI

InChI=1S/C20H30N2O3S/c1-13-9-10-15-16(11-13)26-19(18(15)20(24)25-4)21-17(23)12-22(2,3)14-7-5-6-8-14/h13-14H,5-12H2,1-4H3/p+1/t13-/m0/s1