(2S)-2-phenoxy-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]propanamide

Systemtic Name: (2S)-2-phenoxy-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]propanamide Openeye Name: (2S)-2-phenoxy-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]propanamide CAS Name: (2S)-2-phenoxy-N-[[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]propanamide IUPAC Name: (2S)-2-phenoxy-N-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]propanamide Traditional Name: (2S)-2-phenoxy-N-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzyl]propionamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-22(32-26-14-6-3-7-15-26)27(31)28-20-23-10-8-9-11-24(23)21-29-16-18-30(19-17-29)25-12-4-2-5-13-25/h2-15,22H,16-21H2,1H3,(H,28,31)/p+1/t22-/m0/s1