N-[4-[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]phenyl]ethanamide Openeye Name: N-[4-[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]phenyl]acetamide CAS Name: N-[4-[(2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]phenyl]acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NC(=O)C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H25N3O3/c1-15(21(27)17-7-9-18(10-8-17)22-16(2)25)23-11-13-24(14-12-23)19-5-3-4-6-20(19)26/h3-10,15,26H,11-14H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1