2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCOCC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCOCC2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H29N3O3/c26-21-9-7-20(8-10-21)25-14-12-24(13-15-25)17-22(27)23-11-4-16-28-18-19-5-2-1-3-6-19/h1-3,5-10,26H,4,11-18H2,(H,23,27)/p+1