7-chloranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-piperonylamide Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H23ClN2O3/c22-18-10-17(11-19-20(18)27-14-26-19)21(25)23-12-15-4-6-16(7-5-15)13-24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12-14H2,(H,23,25)/p+1