2-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-3-thiomorpholin-4-ylcarbonyl-pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-3-thiomorpholin-4-ylcarbonyl-pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-(thiomorpholine-4-carbonyl)-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-[oxo(thiomorpholin-4-yl)methyl]-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-(thiomorpholine-4-carbonyl)pyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-(cyclopentylmethyl)-4-keto-6-methyl-3-(thiomorpholine-4-carbonyl)-1-pyridyl]ethyl-dimethyl-ammonium Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CC2CCCC2)C(=O)N3CCSCC3

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CC2CCCC2)C(=O)N3CCSCC3

InChI

InChI=1S/C21H33N3O2S/c1-16-14-19(25)20(21(26)23-10-12-27-13-11-23)18(15-17-6-4-5-7-17)24(16)9-8-22(2)3/h14,17H,4-13,15H2,1-3H3/p+1