[(1S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-1-phenyl-propyl]azanium

Systemtic Name: [(1S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-1-phenyl-propyl]azanium Openeye Name: [(1S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-1-phenyl-propyl]ammonium CAS Name: [(1S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-1-phenylpropyl]ammonium IUPAC Name: [(1S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-1-phenylpropyl]azanium Traditional Name: [(1S)-3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-propyl]ammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-17-8-5-9-18(11-10-17)15(19)12-14(16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,16H2,1H3/p+2/t14-/m0/s1