2-[4-(8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(8-methoxy-5-methyl-4-pyrimido[5,4-b]indolyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(8-methoxy-5-methylpyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=NC=N3)N4CC[NH+](CC4)CCO

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=NC=N3)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C18H23N5O2/c1-21-15-4-3-13(25-2)11-14(15)16-17(21)18(20-12-19-16)23-7-5-22(6-8-23)9-10-24/h3-4,11-12,24H,5-10H2,1-2H3/p+1