3,5-dimethoxy-4-phenylmethoxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide

Systemtic Name: 3,5-dimethoxy-4-phenylmethoxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Openeye Name: 4-benzyloxy-3,5-dimethoxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide CAS Name: 3,5-dimethoxy-4-phenylmethoxy-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzamide IUPAC Name: 3,5-dimethoxy-4-phenylmethoxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Traditional Name: 4-benzoxy-3,5-dimethoxy-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzamide Formula: C29H36N3O4+ MolecularWeight: 490.61384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O4/c1-34-26-20-24(21-27(35-2)28(26)36-22-23-10-5-3-6-11-23)29(33)30-14-9-15-31-16-18-32(19-17-31)25-12-7-4-8-13-25/h3-8,10-13,20-21H,9,14-19,22H2,1-2H3,(H,30,33)/p+1