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

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-piperonylamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O3S/c1-12-4-6-21(7-5-12)9-14-10-25-18(19-14)20-17(22)13-2-3-15-16(8-13)24-11-23-15/h2-3,8,10,12H,4-7,9,11H2,1H3,(H,19,20,22)/p+1