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

Systemtic Name: 3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c22-20(27)10-11-25(18-4-2-1-3-5-18)21(28)16-23-12-14-24(15-13-23)17-6-8-19(26)9-7-17/h1-9,26H,10-16H2,(H2,22,27)/p+1