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

Systemtic Name: (2R)-6-butanoyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-6-butanoyl-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-(1-oxobutyl)-4-[2-(1-piperidin-1-iumyl)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-butanoyl-4-(2-piperidin-1-ium-1-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-6-butyryl-2-isopropyl-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C22H33N2O3+ MolecularWeight: 373.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-4-8-19(25)17-9-10-20-18(15-17)24(22(26)21(27-20)16(2)3)14-13-23-11-6-5-7-12-23/h9-10,15-16,21H,4-8,11-14H2,1-3H3/p+1/t21-/m1/s1