(2R)-4-(2-piperidin-1-ium-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(2-piperidin-1-ium-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(2-piperidin-1-ium-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C16H21N3O3/c17-16(21)14-10-19(12-6-2-3-7-13(12)22-14)15(20)11-18-8-4-1-5-9-18/h2-3,6-7,14H,1,4-5,8-11H2,(H2,17,21)/p+1/t14-/m1/s1