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

Systemtic Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-propyl]azanium Openeye Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-propyl]ammonium CAS Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylpropyl]ammonium IUPAC Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenylpropyl]azanium Traditional Name: [(1R,2R)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-propyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)[NH3+])N2CCC[NH+](CC2)C

InChI

InChI=1S/C15H25N3/c1-13(15(16)14-7-4-3-5-8-14)18-10-6-9-17(2)11-12-18/h3-5,7-8,13,15H,6,9-12,16H2,1-2H3/p+2/t13-,15+/m1/s1