3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one CAS Name: 3-[(3R)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]propan-1-one Formula: C24H39N3O+2 MolecularWeight: 385.58596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCCC(C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1CCC[C@@H](C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H37N3O/c1-21(2)12-14-25-13-6-9-23(20-25)10-11-24(28)27-17-15-26(16-18-27)19-22-7-4-3-5-8-22/h3-5,7-8,12,23H,6,9-11,13-20H2,1-2H3/p+2/t23-/m1/s1