(2R)-N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=C(C=C2)O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H28N4O3/c1-13(16(24)19-17(25)20-18(2,3)4)21-9-11-22(12-10-21)14-5-7-15(23)8-6-14/h5-8,13,23H,9-12H2,1-4H3,(H2,19,20,24,25)/p+1/t13-/m1/s1