[(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-1-phenyl-butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-4-19-10-12-20(13-11-19)17(14(2)3)16(18)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13,18H2,1-3H3/p+2/t16-,17-/m1/s1