N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C18H18N4OS/c1-12-20-15-7-6-13(11-16(15)24-12)21-18(23)14-5-4-8-19-17(14)22-9-2-3-10-22/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)/p+1