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

Systemtic Name: (2R)-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-1,4-benzoxazin-3-one CAS Name: (2R)-6-(1-oxopropyl)-4-[2-(1-piperidin-1-iumyl)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-(2-piperidin-1-ium-1-ylethyl)-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-6-propionyl-1,4-benzoxazin-3-one Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+]3CCCCC3)C(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC[NH+]3CCCCC3)C(C)C

InChI

InChI=1S/C21H30N2O3/c1-4-18(24)16-8-9-19-17(14-16)23(21(25)20(26-19)15(2)3)13-12-22-10-6-5-7-11-22/h8-9,14-15,20H,4-7,10-13H2,1-3H3/p+1/t20-/m1/s1