1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H25N3O4/c1-20(11-13-2-3-15-16(10-13)25-9-8-24-15)17(22)12-21-6-4-14(5-7-21)18(19)23/h2-3,10,14H,4-9,11-12H2,1H3,(H2,19,23)/p+1