3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-3-21-8-4-5-12(21)10-22-11-19-16-14-7-6-13(24-2)9-15(14)20-17(16)18(22)23/h6-7,9,11-12,20H,3-5,8,10H2,1-2H3/p+1/t12-/m1/s1