4-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-9-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-9-methyl-5H-pyrimid[5,4-b]indole Formula: C17H22N5+ MolecularWeight: 296.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=CC=CC(=C43)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=CC=CC(=C43)C

InChI

InChI=1S/C17H21N5/c1-3-21-7-9-22(10-8-21)17-16-15(18-11-19-17)14-12(2)5-4-6-13(14)20-16/h4-6,11,20H,3,7-10H2,1-2H3/p+1