1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O3/c22-18-4-2-1-3-17(18)12-23-21(25)16-7-9-24(10-8-16)13-15-5-6-19-20(11-15)27-14-26-19/h1-6,11,16H,7-10,12-14H2,(H,23,25)/p+1