6-[(2S)-2-chloranylpropanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-3-one Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3/c1-12(18)17(22)13-4-5-15-14(10-13)20(16(21)11-23-15)9-8-19-6-2-3-7-19/h4-5,10,12H,2-3,6-9,11H2,1H3/p+1/t12-/m0/s1