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

Systemtic Name: 9-chloranyl-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-chloro-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-chloro-3-[2-(1-piperidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-chloro-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 9-chloro-3-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H20ClN4O+ MolecularWeight: 331.8199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=NC3=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/h4-6,11,20H,1-3,7-10H2/p+1