N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]acetamide Traditional Name: 2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-N-piperonyl-acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCC1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=NC=C4

Isomeric SMILES

CC[C@H]1C[NH+](CC[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=NC=C4

InChI

InChI=1S/C23H29N3O3/c1-2-19-15-26(14-17-5-8-24-9-6-17)10-7-20(19)12-23(27)25-13-18-3-4-21-22(11-18)29-16-28-21/h3-6,8-9,11,19-20H,2,7,10,12-16H2,1H3,(H,25,27)/p+1/t19-,20-/m0/s1