[(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC[NH+]3CCCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CC[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O2/c1-12(18)14-5-6-16-15(11-14)20(17(21)13(2)22-16)10-9-19-7-3-4-8-19/h5-6,11-13H,3-4,7-10,18H2,1-2H3/p+2/t12-,13+/m0/s1