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

Systemtic Name: [(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]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(C[NH3+])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](C[NH3+])O

InChI

InChI=1S/C14H23N3O/c15-10-14(18)12-17-8-6-16(7-9-17)11-13-4-2-1-3-5-13/h1-5,14,18H,6-12,15H2/p+2/t14-/m0/s1