ethyl (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-3-25-19(24)14-7-6-10-22(11-14)13-18(23)21(2)12-17-20-15-8-4-5-9-16(15)26-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/p+1/t14-/m0/s1