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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-14(2)5-8-20-19(22)16-6-9-21(10-7-16)12-15-3-4-17-18(11-15)24-13-23-17/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,20,22)/p+1