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

Systemtic Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Openeye Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one CAS Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]-2-propanone IUPAC Name: 1-[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indol-2-ium-2-yl]propan-2-one Traditional Name: 1-[1-(3-methoxyphenyl)-9H-$b-carbolin-2-ium-2-yl]acetone Formula: C21H19N2O2+ MolecularWeight: 331.38776

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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(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2/c1-14(24)13-23-11-10-18-17-8-3-4-9-19(17)22-20(18)21(23)15-6-5-7-16(12-15)25-2/h3-12H,13H2,1-2H3/p+1