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

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

Systemtic Name:2-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium
Openeye Name:2-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium
CAS Name:2-[(2R)-6-[(1S)-1-ammoniobutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium
IUPAC Name:2-[(2R)-6-[(1S)-1-azaniumylbutyl]-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium
Traditional Name:2-[(2R)-6-[(1S)-1-ammoniobutyl]-3-keto-2-methyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium
Formula: C17H29N3O2+2
MolecularWeight: 307.43106
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H27N3O2/c1-5-6-14(18)13-7-8-16-15(11-13)20(10-9-19(3)4)17(21)12(2)22-16/h7-8,11-12,14H,5-6,9-10,18H2,1-4H3/p+2/t12-,14+/m1/s1


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