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

Systemtic Name: ethyl 4-[1-azanyl-4-(4-methoxyphenyl)phthalazin-2-ium-2-yl]butanoate Openeye Name: ethyl 4-[1-amino-4-(4-methoxyphenyl)phthalazin-2-ium-2-yl]butanoate CAS Name: 4-[1-amino-4-(4-methoxyphenyl)-2-phthalazin-2-iumyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-4-(4-methoxyphenyl)phthalazin-2-ium-2-yl]butanoate Traditional Name: 4-[1-amino-4-(4-methoxyphenyl)phthalazin-2-ium-2-yl]butyric acid ethyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-3-27-19(25)9-6-14-24-21(22)18-8-5-4-7-17(18)20(23-24)15-10-12-16(26-2)13-11-15/h4-5,7-8,10-13,22H,3,6,9,14H2,1-2H3/p+1