1,3-benzodioxol-5-ylmethyl-[(3-prop-2-ynoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-prop-2-ynoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-prop-2-ynoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-prop-2-ynoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-prop-2-ynoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: piperonyl-(3-propargyloxybenzyl)-(4-pyridylmethyl)ammonium Formula: C24H23N2O3+ MolecularWeight: 387.45102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C#CCOC1=CC=CC(=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H22N2O3/c1-2-12-27-22-5-3-4-20(13-22)16-26(15-19-8-10-25-11-9-19)17-21-6-7-23-24(14-21)29-18-28-23/h1,3-11,13-14H,12,15-18H2/p+1