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2-[(2R)-6-[(R)-azaniumyl(cyclopropyl)methyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

2-[(2R)-6-[(R)-azaniumyl(cyclopropyl)methyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium

Systemtic Name:2-[(2R)-6-[(R)-azaniumyl(cyclopropyl)methyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium
Openeye Name:2-[(2R)-6-[(R)-azaniumyl(cyclopropyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium
CAS Name:2-[(2R)-6-[(R)-ammonio(cyclopropyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium
IUPAC Name:2-[(2R)-6-[(R)-azaniumyl(cyclopropyl)methyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium
Traditional Name:2-[(2R)-6-[(R)-ammonio(cyclopropyl)methyl]-2-ethyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium
Formula: C18H29N3O2+2
MolecularWeight: 319.44176
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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C3CC3)[NH3+])CC[NH+](C)C


Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@@H](C3CC3)[NH3+])CC[NH+](C)C


InChI

InChI=1S/C18H27N3O2/c1-4-15-18(22)21(10-9-20(2)3)14-11-13(7-8-16(14)23-15)17(19)12-5-6-12/h7-8,11-12,15,17H,4-6,9-10,19H2,1-3H3/p+2/t15-,17-/m1/s1


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