2,2-dimethyl-6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 2,2-dimethyl-6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 2,2-dimethyl-6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-(1-oxopropyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 2,2-dimethyl-6-propanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 2,2-dimethyl-6-propionyl-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:

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

Isomeric SMILES

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

InChI

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