1-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[ethyl(piperonyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H25N3O4/c1-2-21(10-13-3-4-15-16(9-13)25-12-24-15)17(22)11-20-7-5-14(6-8-20)18(19)23/h3-4,9,14H,2,5-8,10-12H2,1H3,(H2,19,23)/p+1