(3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenyl-hept-5-yn-3-ol

Systemtic Name: (3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenyl-hept-5-yn-3-ol Openeye Name: (3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenyl-hept-5-yn-3-ol CAS Name: (3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-3-phenyl-5-heptyn-3-ol IUPAC Name: (3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenylhept-5-yn-3-ol Traditional Name: (3R)-2,2-dimethyl-7-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-3-phenyl-hept-5-yn-3-ol Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC#CC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)[C@](CC#CC[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)O

InChI

InChI=1S/C25H31N3O3/c1-24(2,3)25(29,21-9-5-4-6-10-21)15-7-8-16-26-17-19-27(20-18-26)22-11-13-23(14-12-22)28(30)31/h4-6,9-14,29H,15-20H2,1-3H3/p+1/t25-/m0/s1