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

Systemtic Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2/c24-21(15-22-13-7-2-8-14-22)23-18-11-5-6-12-20(18)25-16-19(23)17-9-3-1-4-10-17/h1,3-6,9-12,19H,2,7-8,13-16H2/p+1/t19-/m1/s1