(2S)-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C17H23N3O3/c1-12-6-4-5-9-19(12)11-16(21)20-10-15(17(18)22)23-14-8-3-2-7-13(14)20/h2-3,7-8,12,15H,4-6,9-11H2,1H3,(H2,18,22)/p+1/t12-,15-/m0/s1