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

Systemtic Name: 2-[6-[(1S)-1-azaniumylpropyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-[(1S)-1-azaniumylpropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-[(1S)-1-ammoniopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[6-[(1S)-1-azaniumylpropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[6-[(1S)-1-ammoniopropyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-6-13(18)12-7-8-15-14(11-12)20(10-9-19(4)5)16(21)17(2,3)22-15/h7-8,11,13H,6,9-10,18H2,1-5H3/p+2/t13-/m0/s1