(3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]piperidin-1-ium-3-carboxylate Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-10-4-5-12-13(7-10)23-16(17-12)18-14(20)9-19-6-2-3-11(8-19)15(21)22/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,22)(H,17,18,20)/t11-/m0/s1