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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-[2-oxo-2-(1-piperidinyl)ethyl]-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(2-keto-2-piperidino-ethyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)[NH3+])CC(=O)N3CCCCC3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)[NH3+])CC(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O3/c1-3-15(21)14-8-9-18-16(12-14)23(20(25)17(4-2)26-18)13-19(24)22-10-6-5-7-11-22/h8-9,12,15,17H,3-7,10-11,13,21H2,1-2H3/p+1/t15-,17+/m0/s1