N-[[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O3S/c1-14(2)17-12-28-20(23-17)11-24-7-3-4-15(10-24)9-22-21(25)16-5-6-18-19(8-16)27-13-26-18/h5-6,8,12,14-15H,3-4,7,9-11,13H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1