1-[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-2-propanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-9H-$b-carbolin-2-ium-2-yl]acetone Formula: C21H17N2O3+ MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N2O3/c1-13(24)11-23-9-8-16-15-4-2-3-5-17(15)22-20(16)21(23)14-6-7-18-19(10-14)26-12-25-18/h2-10H,11-12H2,1H3/p+1