(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N,N-diisopropyl-propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N,N-diisopropyl-propionamide Formula: C19H32N3O2+ MolecularWeight: 334.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)[NH+]1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C19H31N3O2/c1-14(2)22(15(3)4)19(24)16(5)20-10-12-21(13-11-20)17-8-6-7-9-18(17)23/h6-9,14-16,23H,10-13H2,1-5H3/p+1/t16-/m0/s1