[(2S)-1-(azepan-1-ium-1-yl)-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(azepan-1-ium-1-yl)-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-phenyl-ethyl]ammonium CAS Name: [(2S)-1-(1-azepan-1-iumyl)-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(azepan-1-ium-1-yl)-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-phenyl-ethyl]ammonium Formula: C15H26N2+2 MolecularWeight: 234.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C15H24N2/c16-15(12-14-8-4-3-5-9-14)13-17-10-6-1-2-7-11-17/h3-5,8-9,15H,1-2,6-7,10-13,16H2/p+2/t15-/m0/s1