4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(1R)-1-(3-nitrophenyl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H21N3O3/c1-14(15-3-2-4-17(13-15)21(23)24)19-9-11-20(12-10-19)16-5-7-18(22)8-6-16/h2-8,13-14,22H,9-12H2,1H3/p+1/t14-/m1/s1