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

Systemtic Name: 1-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Openeye Name: 1-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one CAS Name: 1-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-2-propanone IUPAC Name: 1-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Traditional Name: 1-[1-(3,4-dimethoxyphenyl)-9H-$b-carbolin-2-ium-2-yl]acetone Formula: C22H21N2O3+ MolecularWeight: 361.41374

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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=CC(=C(C=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-14(25)13-24-11-10-17-16-6-4-5-7-18(16)23-21(17)22(24)15-8-9-19(26-2)20(12-15)27-3/h4-12H,13H2,1-3H3/p+1