[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-phenyl-butyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-phenyl-butyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-phenyl-butyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-methyl-4-phenylbutyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-phenylbutyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-4-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)(CCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@](C)(CCC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C17H29N3/c1-3-19-11-13-20(14-12-19)17(2,15-18)10-9-16-7-5-4-6-8-16/h4-8H,3,9-15,18H2,1-2H3/p+2/t17-/m0/s1