(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]propionamide Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCC(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCC(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H24N2O2/c1-12(17(21)18-15-4-5-15)19-10-8-14(9-11-19)13-2-6-16(20)7-3-13/h2-3,6-7,12,14-15,20H,4-5,8-11H2,1H3,(H,18,21)/p+1/t12-/m0/s1