N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamide Openeye Name: N-[(2-allyloxyphenyl)methyl]-N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide Traditional Name: N-(2-allyloxybenzyl)-N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN(C2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCCCC4

Isomeric SMILES

C=CCOC1=CC=CC=C1CN(C2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N2O4/c1-2-14-28-21-9-5-4-8-19(21)16-26(24(27)17-25-12-6-3-7-13-25)20-10-11-22-23(15-20)30-18-29-22/h2,4-5,8-11,15H,1,3,6-7,12-14,16-18H2/p+1