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

Systemtic Name: 9-chloranyl-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-chloro-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-chloro-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-chloro-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 9-chloro-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C16H20ClN5O+2 MolecularWeight: 333.8159

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C16H18ClN5O/c17-11-2-1-3-12-13(11)14-15(20-12)16(23)22(10-19-14)9-8-21-6-4-18-5-7-21/h1-3,10,18,20H,4-9H2/p+2