(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)propionamide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-13(2)12-19-18(25)20-17(24)14(3)21-8-10-22(11-9-21)15-4-6-16(23)7-5-15/h4-7,13-14,23H,8-12H2,1-3H3,(H2,19,20,24,25)/p+1/t14-/m0/s1