(1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: (1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanol Openeye Name: (1S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-nitrophenyl)ethanol CAS Name: (1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: (1S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-nitrophenyl)ethanol Traditional Name: (1S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-nitrophenyl)ethanol Formula: C19H25N3O3+2 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H23N3O3/c23-19(17-6-8-18(9-7-17)22(24)25)15-21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2/p+2/t19-/m1/s1