2-[(2S)-7-methyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-7-methyl-3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-2-yl]acetate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CC[NH+]3CCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CC[NH+]3CCCC3

InChI

InChI=1S/C17H22N2O4/c1-12-4-5-13-14(10-12)23-15(11-16(20)21)17(22)19(13)9-8-18-6-2-3-7-18/h4-5,10,15H,2-3,6-9,11H2,1H3,(H,20,21)/t15-/m0/s1