2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxo-ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-ethyl-N-[2-(ethylamino)-2-keto-ethyl]acetamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-3-21-18(25)13-24(4-2)19(26)14-23-11-9-15(10-12-23)20-22-16-7-5-6-8-17(16)27-20/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)/p+1