9-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

Systemtic Name: 9-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 9-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 9-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 9-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 9-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H20N6/c1-14-5-4-6-15-17(14)18-19(24-15)20(23-13-22-18)26-11-9-25(10-12-26)16-7-2-3-8-21-16/h2-8,13,24H,9-12H2,1H3/p+1