2-[4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(7-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(7-methoxy-5H-pyrimid[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CCO

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C17H21N5O2/c1-24-12-2-3-13-14(10-12)20-16-15(13)18-11-19-17(16)22-6-4-21(5-7-22)8-9-23/h2-3,10-11,20,23H,4-9H2,1H3/p+1