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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H23N2O3/c1-17-11-22(23(28)15-26-10-9-20-5-3-4-6-21(20)14-26)18(2)27(17)13-19-7-8-24-25(12-19)30-16-29-24/h3-12,14H,13,15-16H2,1-2H3/q+1