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

Systemtic Name: methyl N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-22-16(21)18-14(20)10-19-8-6-11(7-9-19)15-17-12-4-2-3-5-13(12)23-15/h2-5,11H,6-10H2,1H3,(H,18,20,21)/p+1