1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]but-2-yn-1-one Formula: C19H26N3O+ MolecularWeight: 312.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC#CC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O/c1-2-7-19(23)22-11-6-10-18(16-22)21-14-12-20(13-15-21)17-8-4-3-5-9-17/h3-5,8-9,18H,6,10-16H2,1H3/p+1/t18-/m0/s1