[(2S)-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(2S)-2-hydroxy-2-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]ethyl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(2S)-2-hydroxy-2-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(C[NH3+])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)[C@@H](C[NH3+])O

InChI

InChI=1S/C13H21N3O/c1-15-6-8-16(9-7-15)12-4-2-11(3-5-12)13(17)10-14/h2-5,13,17H,6-10,14H2,1H3/p+2/t13-/m1/s1