N-[3-[4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenyl-butanamide

Systemtic Name: N-[3-[4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenyl-butanamide Openeye Name: N-[3-[4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]phenyl]-4-phenyl-butanamide CAS Name: N-[3-[4-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]-4-phenylbutanamide IUPAC Name: N-[3-[4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]phenyl]-4-phenylbutanamide Traditional Name: N-[3-[4-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]piperidino]phenyl]-4-phenyl-butyramide Formula: C31H39N4O2+ MolecularWeight: 499.66696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3O)C4=CC(=CC=C4)NC(=O)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3O)C4=CC(=CC=C4)NC(=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O2/c36-30-14-5-4-13-29(30)35-22-20-34(21-23-35)27-16-18-33(19-17-27)28-12-7-11-26(24-28)32-31(37)15-6-10-25-8-2-1-3-9-25/h1-5,7-9,11-14,24,27,36H,6,10,15-23H2,(H,32,37)/p+1