methyl 2-[(2R)-3-oxidanylidene-1-[(4-phenylazanylquinazolin-2-yl)methyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-3-oxidanylidene-1-[(4-phenylazanylquinazolin-2-yl)methyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[(4-anilinoquinazolin-2-yl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(4-anilino-2-quinazolinyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(4-anilinoquinazolin-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-[(4-anilinoquinazolin-2-yl)methyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C22H24N5O3+ MolecularWeight: 406.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-30-20(28)13-18-22(29)23-11-12-27(18)14-19-25-17-10-6-5-9-16(17)21(26-19)24-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,23,29)(H,24,25,26)/p+1/t18-/m1/s1