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

Systemtic Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-isopropyl-propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-12(2)17-16(21)13(3)18-8-10-19(11-9-18)14-6-4-5-7-15(14)20/h4-7,12-13,20H,8-11H2,1-3H3,(H,17,21)/p+1/t13-/m0/s1