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

Systemtic Name: methyl-[(2S)-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propyl]-methyl-ammonium Formula: C15H27N3O+2 MolecularWeight: 265.39438

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CC[NH+](CC1C2=CC=CC=C2)C)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)C)O

InChI

InChI=1S/C15H25N3O/c1-16-10-14(19)11-18-9-8-17(2)12-15(18)13-6-4-3-5-7-13/h3-7,14-16,19H,8-12H2,1-2H3/p+2/t14-,15+/m0/s1