[(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[2,2-dimethyl-3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(2-keto-2-pyrrolidino-ethyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCC3)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCC3)(C)C)[NH3+]

InChI

InChI=1S/C19H27N3O3/c1-4-14(20)13-7-8-16-15(11-13)22(18(24)19(2,3)25-16)12-17(23)21-9-5-6-10-21/h7-8,11,14H,4-6,9-10,12,20H2,1-3H3/p+1/t14-/m0/s1