(1S)-1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1S)-1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1S)-1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol CAS Name: (1S)-1-(4-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanol IUPAC Name: (1S)-1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1S)-1-(4-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c22-18(15-6-8-17(9-7-15)21(23)24)14-19-10-12-20(13-11-19)16-4-2-1-3-5-16/h1-9,18,22H,10-14H2/p+1/t18-/m1/s1