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

Systemtic Name: 6-ethanoyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCC3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCC3

InChI

InChI=1S/C16H20N2O3/c1-12(19)13-4-5-15-14(10-13)18(16(20)11-21-15)9-8-17-6-2-3-7-17/h4-5,10H,2-3,6-9,11H2,1H3/p+1