3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C18H25N5O+2 MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C(C2=O)NC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C(C2=O)NC4=CC=CC=C43

InChI

InChI=1S/C18H23N5O/c1-21-9-11-22(12-10-21)7-4-8-23-13-19-16-14-5-2-3-6-15(14)20-17(16)18(23)24/h2-3,5-6,13,20H,4,7-12H2,1H3/p+2