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

Systemtic Name: 8-chloranyl-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-chloro-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-chloro-3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-chloro-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-chloro-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C17H20ClN4O+ MolecularWeight: 331.8199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O/c1-2-21-7-3-4-12(21)9-22-10-19-15-13-8-11(18)5-6-14(13)20-16(15)17(22)23/h5-6,8,10,12,20H,2-4,7,9H2,1H3/p+1/t12-/m0/s1