N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-piperonylamide Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O3/c21-16-4-1-14(2-5-16)12-23-9-7-17(8-10-23)22-20(24)15-3-6-18-19(11-15)26-13-25-18/h1-6,11,17H,7-10,12-13H2,(H,22,24)/p+1