[(1R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: [(1R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1R)-2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-ethyl]ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H21N3O/c1-16-8-5-9-17(11-10-16)14(18)13(15)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3/p+2/t13-/m1/s1