[(2S)-3,3-dimethyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-3,3-dimethyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-2,2-dimethyl-1-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]propyl]ammonium CAS Name: [(2S)-3,3-dimethyl-1-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3,3-dimethyl-1-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-2,2-dimethyl-1-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]propyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1CC[NH+](CC1C2=CC=CC=C2)C)[NH3+]

Isomeric SMILES

CC(C)(C)[C@@H](CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)C)[NH3+]

InChI

InChI=1S/C17H29N3/c1-17(2,3)16(18)13-20-11-10-19(4)12-15(20)14-8-6-5-7-9-14/h5-9,15-16H,10-13,18H2,1-4H3/p+2/t15-,16-/m1/s1