N-(4-phenylmethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-phenylmethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-phenylmethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-benzoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-26(15-16-28-17-19-29(20-18-28)24-9-5-2-6-10-24)27-23-11-13-25(14-12-23)31-21-22-7-3-1-4-8-22/h1-14H,15-21H2,(H,27,30)/p+1