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

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)C

InChI

InChI=1S/C18H22N4O/c1-3-21-8-4-5-13(21)10-22-11-19-16-14-9-12(2)6-7-15(14)20-17(16)18(22)23/h6-7,9,11,13,20H,3-5,8,10H2,1-2H3/p+1/t13-/m0/s1