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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-4-14(2)16(18)12-20-11-10-19(3)13-17(20)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13,18H2,1-3H3/p+2/t14-,16+,17+/m0/s1