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

Systemtic Name: cyclopentyl-dimethyl-[2-[[(6S)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopentyl-[2-[[(6S)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: cyclopentyl-dimethyl-[2-[[(6S)-6-methyl-3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclopentyl-dimethyl-[2-[[(6S)-6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: cyclopentyl-[2-[[(6S)-3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]-dimethyl-ammonium Formula: C22H35N2O3S+ MolecularWeight: 407.5899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3S/c1-14(2)27-22(26)20-17-11-10-15(3)12-18(17)28-21(20)23-19(25)13-24(4,5)16-8-6-7-9-16/h14-16H,6-13H2,1-5H3/p+1/t15-/m0/s1