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

Systemtic Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H27N3O4/c1-14-9-18(19(26)12-24-7-5-17(6-8-24)22(23)27)15(2)25(14)11-16-3-4-20-21(10-16)29-13-28-20/h3-4,9-10,17H,5-8,11-13H2,1-2H3,(H2,23,27)/p+1