1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C16H20N4O3S/c1-23-11-2-3-12-13(8-11)24-16(18-12)19-14(21)9-20-6-4-10(5-7-20)15(17)22/h2-3,8,10H,4-7,9H2,1H3,(H2,17,22)(H,18,19,21)/p+1