[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C15H25N3/c1-17-8-5-9-18(11-10-17)13-15(16)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,16H2,1H3/p+2/t15-/m0/s1