N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzylpiperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-piperonyl-piperidin-1-ium-4-carboxamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c24-21(22-13-17-6-7-19-20(12-17)26-15-25-19)18-8-10-23(11-9-18)14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,22,24)/p+1