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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-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=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Cl

InChI

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