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

Systemtic Name: 7-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 7-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 7-methoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 7-methoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 7-methoxy-4-(4-pyridin-1-ium-2-ylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C20H20N6O/c1-27-14-5-6-15-16(12-14)24-19-18(15)22-13-23-20(19)26-10-8-25(9-11-26)17-4-2-3-7-21-17/h2-7,12-13,24H,8-11H2,1H3/p+1