[(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-3-methyl-butyl]ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)[NH3+]

InChI

InChI=1S/C15H22N2O3/c1-10(2)8-12(16)15(18)17-11-4-5-13-14(9-11)20-7-3-6-19-13/h4-5,9-10,12H,3,6-8,16H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1