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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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