2-azanyl-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzothiazole-5-carboxamide

Systemtic Name: 2-azanyl-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzothiazole-5-carboxamide Openeye Name: 2-amino-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzothiazole-5-carboxamide CAS Name: 2-amino-N-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-1,3-benzothiazole-5-carboxamide IUPAC Name: 2-amino-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzothiazole-5-carboxamide Traditional Name: 2-amino-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzothiazole-5-carboxamide Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)C(=O)C2=CC3=C(C=C2)SC(=N3)N

Isomeric SMILES

CN(CC[NH+]1CCCCC1)C(=O)C2=CC3=C(C=C2)SC(=N3)N

InChI

InChI=1S/C16H22N4OS/c1-19(9-10-20-7-3-2-4-8-20)15(21)12-5-6-14-13(11-12)18-16(17)22-14/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18)/p+1