(2R)-6-ethanoyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-ethanoyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-6-acetyl-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-acetyl-4-[2-(1-piperidin-1-iumyl)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-acetyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-6-acetyl-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC[NH+]3CCCCC3

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC[NH+]3CCCCC3

InChI

InChI=1S/C20H28N2O3/c1-14(2)19-20(24)22(12-11-21-9-5-4-6-10-21)17-13-16(15(3)23)7-8-18(17)25-19/h7-8,13-14,19H,4-6,9-12H2,1-3H3/p+1/t19-/m1/s1