1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-butan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-butan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-methylpropyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-butan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-butan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-3-13(2)19-18(21)15-6-8-20(9-7-15)11-14-4-5-16-17(10-14)23-12-22-16/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1