(2R)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H26N4O3/c19-18(25)16-3-1-2-8-22(16)17(24)13-20-9-11-21(12-10-20)14-4-6-15(23)7-5-14/h4-7,16,23H,1-3,8-13H2,(H2,19,25)/p+1/t16-/m1/s1