1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-butyl-N-methyl-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(C)C(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N2O3/c1-3-4-9-20(2)19(22)16-7-10-21(11-8-16)13-15-5-6-17-18(12-15)24-14-23-17/h5-6,12,16H,3-4,7-11,13-14H2,1-2H3/p+1