N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-benzyloxyphenyl)-3-(4-benzylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-phenylmethoxyphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-3-(4-benzylpiperazin-1-ium-1-yl)propionamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c31-27(15-16-29-17-19-30(20-18-29)21-23-7-3-1-4-8-23)28-25-11-13-26(14-12-25)32-22-24-9-5-2-6-10-24/h1-14H,15-22H2,(H,28,31)/p+1