(1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanol

Systemtic Name: (1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)ethanol CAS Name: (1S)-1-(4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanol IUPAC Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)ethanol Traditional Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(4-nitrophenyl)ethanol Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(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+1/t19-/m1/s1