2-[4-(7,8-dimethoxyphthalazin-3-ium-1-yl)piperazin-1-yl]ethylazanium

Systemtic Name: 2-[4-(7,8-dimethoxyphthalazin-3-ium-1-yl)piperazin-1-yl]ethylazanium Openeye Name: 2-[4-(7,8-dimethoxyphthalazin-3-ium-1-yl)piperazin-1-yl]ethylammonium CAS Name: 2-[4-(7,8-dimethoxy-1-phthalazin-3-iumyl)-1-piperazinyl]ethylammonium IUPAC Name: 2-[4-(7,8-dimethoxyphthalazin-3-ium-1-yl)piperazin-1-yl]ethylazanium Traditional Name: 2-[4-(7,8-dimethoxyphthalazin-3-ium-1-yl)piperazino]ethylammonium Formula: C16H25N5O2+2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(N=[NH+]C=C2C=C1)N3CCN(CC3)CC[NH3+])OC

Isomeric SMILES

COC1=C(C2=C(N=[NH+]C=C2C=C1)N3CCN(CC3)CC[NH3+])OC

InChI

InChI=1S/C16H23N5O2/c1-22-13-4-3-12-11-18-19-16(14(12)15(13)23-2)21-9-7-20(6-5-17)8-10-21/h3-4,11H,5-10,17H2,1-2H3/p+2