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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-ethylbenzyl)-N-piperonyl-piperidin-1-ium-4-carboxamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-2-17-3-5-18(6-4-17)15-25-11-9-20(10-12-25)23(26)24-14-19-7-8-21-22(13-19)28-16-27-21/h3-8,13,20H,2,9-12,14-16H2,1H3,(H,24,26)/p+1