(1R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c22-18(15-4-2-1-3-5-15)14-19-10-12-20(13-11-19)16-6-8-17(9-7-16)21(23)24/h1-9,18,22H,10-14H2/p+1/t18-/m0/s1