9-chloranyl-3-(2-piperidin-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one

Systemtic Name: 9-chloranyl-3-(2-piperidin-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Openeye Name: 9-chloro-3-[2-(1-piperidyl)ethyl]-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one CAS Name: 9-chloro-3-[2-(1-piperidinyl)ethyl]-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one IUPAC Name: 9-chloro-3-(2-piperidin-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Traditional Name: 9-chloro-3-(2-piperidinoethyl)-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one Formula: C17H20ClN4O+ MolecularWeight: 331.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC[N+]2=CNC3=C(C2=O)NC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)CC[N+]2=CNC3=C(C2=O)NC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C17H19ClN4O/c18-12-5-4-6-13-14(12)15-16(20-13)17(23)22(11-19-15)10-9-21-7-2-1-3-8-21/h4-6,11H,1-3,7-10H2,(H,20,23)/p+1