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

Systemtic Name: [(2S)-3-methyl-1-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]propyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-13(2)15(17)11-19-10-9-18(3)12-16(19)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12,17H2,1-3H3/p+2/t15-,16-/m1/s1