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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CC[NH+](CC1)CC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C15H25N3O/c1-16-11-15(19)13-18-9-7-17(8-10-18)12-14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3/p+2/t15-/m0/s1