1-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-4-carboxamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c23-22(27)17-10-12-24(13-11-17)14-21(26)25-18-8-4-5-9-20(18)28-15-19(25)16-6-2-1-3-7-16/h1-9,17,19H,10-15H2,(H2,23,27)/p+1/t19-/m1/s1