3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(1-methyl-2-benzimidazolyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H36N5O+ MolecularWeight: 446.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCC(CC3)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC(CC3)CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H35N5O/c1-29-25-10-6-5-9-24(25)28-26(29)21-30-15-13-22(14-16-30)11-12-27(33)32-19-17-31(18-20-32)23-7-3-2-4-8-23/h2-10,22H,11-21H2,1H3/p+1