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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-3-10-21-18(25)13-23(2)19(26)14-24-11-8-15(9-12-24)20-22-16-6-4-5-7-17(16)27-20/h4-7,15H,3,8-14H2,1-2H3,(H,21,25)/p+1