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

Systemtic Name: ethyl N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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