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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-[2-(1-piperidin-1-iumyl)ethyl]-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(2-piperidin-1-ium-1-ylethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(2-piperidin-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:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCCC3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC[NH+]3CCCCC3)[NH3+]

InChI

InChI=1S/C17H25N3O2/c1-13(18)14-5-6-16-15(11-14)20(17(21)12-22-16)10-9-19-7-3-2-4-8-19/h5-6,11,13H,2-4,7-10,12,18H2,1H3/p+2/t13-/m0/s1