ethyl 4-[1-azanyl-4-(phenylmethyl)phthalazin-2-ium-2-yl]butanoate

Systemtic Name: ethyl 4-[1-azanyl-4-(phenylmethyl)phthalazin-2-ium-2-yl]butanoate Openeye Name: ethyl 4-(1-amino-4-benzyl-phthalazin-2-ium-2-yl)butanoate CAS Name: 4-[1-amino-4-(phenylmethyl)-2-phthalazin-2-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-amino-4-benzylphthalazin-2-ium-2-yl)butanoate Traditional Name: 4-(1-amino-4-benzyl-phthalazin-2-ium-2-yl)butyric acid ethyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N3O2/c1-2-26-20(25)13-8-14-24-21(22)18-12-7-6-11-17(18)19(23-24)15-16-9-4-3-5-10-16/h3-7,9-12,22H,2,8,13-15H2,1H3/p+1