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

Systemtic Name: 3-phenylmethoxy-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 3-benzyloxy-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-phenylmethoxy-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide Traditional Name: 3-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(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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