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

Systemtic Name: 9-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 9-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 9-methyl-3-[2-(1-piperazine-1,4-diiumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 9-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 9-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C17H23N5O+2 MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN(C3=O)CC[NH+]4CC[NH2+]CC4

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN(C3=O)CC[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C17H21N5O/c1-12-3-2-4-13-14(12)15-16(20-13)17(23)22(11-19-15)10-9-21-7-5-18-6-8-21/h2-4,11,18,20H,5-10H2,1H3/p+2