2-methyl-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]pent-3-yn-2-ol

Systemtic Name: 2-methyl-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]pent-3-yn-2-ol Openeye Name: 2-methyl-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]pent-3-yn-2-ol CAS Name: 2-methyl-5-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-3-pentyn-2-ol IUPAC Name: 2-methyl-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]pent-3-yn-2-ol Traditional Name: 2-methyl-5-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]pent-3-yn-2-ol Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-16(2,20)8-3-9-17-10-12-18(13-11-17)14-4-6-15(7-5-14)19(21)22/h4-7,20H,9-13H2,1-2H3/p+1