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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-phenethyl-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C29H33N2O3+ MolecularWeight: 457.58392

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H32N2O3/c32-29(31(21-24-9-5-2-6-10-24)18-13-23-7-3-1-4-8-23)26-14-16-30(17-15-26)20-25-11-12-27-28(19-25)34-22-33-27/h1-12,19,26H,13-18,20-22H2/p+1