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

Systemtic Name: 8-chloranyl-3-(2-piperidin-1-ium-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Openeye Name: 8-chloro-3-(2-piperidin-1-ium-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one CAS Name: 8-chloro-3-[2-(1-piperidin-1-iumyl)ethyl]-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one IUPAC Name: 8-chloro-3-(2-piperidin-1-ium-1-ylethyl)-1,5-dihydropyrimido[5,4-b]indol-3-ium-4-one Traditional Name: 8-chloro-3-(2-piperidin-1-ium-1-ylethyl)-1,5-dihydropyrimid[5,4-b]indol-3-ium-4-one Formula: C17H21ClN4O+2 MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=CNC3=C(C2=O)NC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=CNC3=C(C2=O)NC4=C3C=C(C=C4)Cl

InChI

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