1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C19H22N2O4/c1-13-9-16(17(22)11-20-5-7-23-8-6-20)14(2)21(13)15-3-4-18-19(10-15)25-12-24-18/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1