1-[4-(phenylmethyl)piperazin-1-yl]-3-[(3R)-1-propylpiperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[(3R)-1-propylpiperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[(3R)-1-propyl-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3R)-1-propylpiperidin-1-ium-3-yl]propan-1-one Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-2-12-23-13-6-9-21(19-23)10-11-22(26)25-16-14-24(15-17-25)18-20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3/p+1/t21-/m1/s1