3-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H36N3O2+ MolecularWeight: 434.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-22(31)25-7-5-6-24(20-25)21-28-14-12-23(13-15-28)10-11-27(32)30-18-16-29(17-19-30)26-8-3-2-4-9-26/h2-9,20,23H,10-19,21H2,1H3/p+1