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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-13(11-22-2)19-18(21)15-5-7-20(8-6-15)10-14-3-4-16-17(9-14)24-12-23-16/h3-4,9,13,15H,5-8,10-12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1