2-[(2S)-7-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-7-azanyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-7-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C14H24N3O+ MolecularWeight: 250.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=C(C=C2)N)CC[NH+](C)C

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=C(C=C2)N)CC[NH+](C)C

InChI

InChI=1S/C14H23N3O/c1-4-12-10-17(8-7-16(2)3)13-6-5-11(15)9-14(13)18-12/h5-6,9,12H,4,7-8,10,15H2,1-3H3/p+1/t12-/m0/s1