N'-(4-methylphthalazin-2-ium-1-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(4-methylphthalazin-2-ium-1-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(4-methylphthalazin-2-ium-1-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(4-methyl-1-phthalazin-2-iumyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(4-methylphthalazin-2-ium-1-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: (4-methylphthalazin-2-ium-1-yl)-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C16H19N5+2 MolecularWeight: 281.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)NCCNC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)NCCNC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17N5/c1-12-13-6-2-3-7-14(13)16(21-20-12)19-11-10-18-15-8-4-5-9-17-15/h2-9H,10-11H2,1H3,(H,17,18)(H,19,21)/p+2