N-[[(3R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O3S/c1-13-20-9-16(26-13)11-22-6-2-3-14(10-22)8-21-19(23)15-4-5-17-18(7-15)25-12-24-17/h4-5,7,9,14H,2-3,6,8,10-12H2,1H3,(H,21,23)/p+1/t14-/m1/s1