2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-nitro-3-[[(1R)-1-phenylethyl]amino]phenyl]piperazin-1-ium-1-yl]ethanol Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-16(17-5-3-2-4-6-17)21-19-15-18(7-8-20(19)24(26)27)23-11-9-22(10-12-23)13-14-25/h2-8,15-16,21,25H,9-14H2,1H3/p+1/t16-/m1/s1