3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H34N3OS+ MolecularWeight: 448.64336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H33N3OS/c31-27(30-18-16-29(17-19-30)24-7-2-1-3-8-24)11-10-22-12-14-28(15-13-22)21-25-20-23-6-4-5-9-26(23)32-25/h1-9,20,22H,10-19,21H2/p+1