methyl N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O3S/c1-11(15(21)19-17(22)23-2)20-9-7-12(8-10-20)16-18-13-5-3-4-6-14(13)24-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,21,22)/p+1/t11-/m1/s1