4-phenylmethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 4-phenylmethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 4-benzyloxy-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-phenylmethoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C31H32N3O2+ MolecularWeight: 478.60468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O2/c35-31(27-11-17-30(18-12-27)36-24-26-9-5-2-6-10-26)32-28-13-15-29(16-14-28)34-21-19-33(20-22-34)23-25-7-3-1-4-8-25/h1-18H,19-24H2,(H,32,35)/p+1