3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: 3-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H28N4O3/c23-21(28)10-11-26(16-18-4-2-1-3-5-18)22(29)17-24-12-14-25(15-13-24)19-6-8-20(27)9-7-19/h1-9,27H,10-17H2,(H2,23,28)/p+1