(2R)-6-butanoyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-butanoyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-butanoyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-2-methyl-6-(1-oxobutyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-butanoyl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-butyryl-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+]3CCCC3)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC[NH+]3CCCC3)C

InChI

InChI=1S/C19H26N2O3/c1-3-6-17(22)15-7-8-18-16(13-15)21(19(23)14(2)24-18)12-11-20-9-4-5-10-20/h7-8,13-14H,3-6,9-12H2,1-2H3/p+1/t14-/m1/s1