[(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(4-methyl-1-piperazin-4-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])N2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H]([C@@H](C1=CC=CC=C1)[NH3+])N2CC[NH+](CC2)C

InChI

InChI=1S/C15H25N3/c1-3-14(18-11-9-17(2)10-12-18)15(16)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,16H2,1-2H3/p+2/t14-,15-/m1/s1