(2S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CNC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]2CNC3=CC=CC=C3O2

InChI

InChI=1S/C16H23N3O2/c1-2-19-9-5-6-12(19)10-18-16(20)15-11-17-13-7-3-4-8-14(13)21-15/h3-4,7-8,12,15,17H,2,5-6,9-11H2,1H3,(H,18,20)/p+1/t12-,15-/m0/s1