3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C16H16N5O+ MolecularWeight: 294.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=C[NH+]=CN4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=C[NH+]=CN4

InChI

InChI=1S/C16H15N5O/c1-10-2-3-13-12(6-10)14-15(20-13)16(22)21(9-19-14)5-4-11-7-17-8-18-11/h2-3,6-9,20H,4-5H2,1H3,(H,17,18)/p+1