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

Systemtic Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-isobutyl-propanamide CAS Name: (2S)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-isobutyl-propionamide Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-13(2)12-18-17(22)14(3)19-8-10-20(11-9-19)15-4-6-16(21)7-5-15/h4-7,13-14,21H,8-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1