4-methyl-5-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-1,3-thiazole-2-thiolate

Systemtic Name: 4-methyl-5-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-1,3-thiazole-2-thiolate Openeye Name: 5-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-4-methyl-thiazole-2-thiolate CAS Name: 4-methyl-5-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-2-thiazolethiolate IUPAC Name: 5-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-4-methyl-1,3-thiazole-2-thiolate Traditional Name: 5-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-4-methyl-thiazole-2-thiolate Formula: C18H23N3OS2 MolecularWeight: 361.52472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)[S-])CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=N1)[S-])CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3OS2/c1-13-16(24-18(23)19-13)11-17(22)20-15-7-9-21(10-8-15)12-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,19,23)(H,20,22)