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

Systemtic Name: 1-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N3C(COC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N3[C@H](COC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c32-27(19-30-17-15-22(16-18-30)28(33)29-23-11-5-2-6-12-23)31-24-13-7-8-14-26(24)34-20-25(31)21-9-3-1-4-10-21/h1-14,22,25H,15-20H2,(H,29,33)/p+1/t25-/m1/s1