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

Systemtic Name: 8-methoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methoxy-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-methoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H27N5O2+2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)OC

InChI

InChI=1S/C19H25N5O2/c1-22-8-10-23(11-9-22)6-3-7-24-13-20-17-15-12-14(26-2)4-5-16(15)21-18(17)19(24)25/h4-5,12-13,21H,3,6-11H2,1-2H3/p+2