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

Systemtic Name: 8-ethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 8-ethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-(4-pyridin-1-ium-2-ylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C21H23N6O+ MolecularWeight: 375.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C21H22N6O/c1-2-28-15-6-7-17-16(13-15)19-20(25-17)21(24-14-23-19)27-11-9-26(10-12-27)18-5-3-4-8-22-18/h3-8,13-14,25H,2,9-12H2,1H3/p+1