8-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCCN4CC[NH+](CC4)C

InChI

InChI=1S/C19H25N5O/c1-14-4-5-16-15(12-14)17-18(21-16)19(25)24(13-20-17)7-3-6-23-10-8-22(2)9-11-23/h4-5,12-13,21H,3,6-11H2,1-2H3/p+1