(2S)-N-prop-2-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propanamide

Systemtic Name: (2S)-N-prop-2-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propanamide Openeye Name: (2S)-N-prop-2-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propanamide CAS Name: (2S)-N-prop-2-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propanamide IUPAC Name: (2S)-N-prop-2-ynyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propanamide Traditional Name: (2S)-N-propargyl-2-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]propionamide Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=CC=C(C=C1)C2=CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NCC#C)OC1=CC=C(C=C1)C2=CC[NH2+]CC2

InChI

InChI=1S/C17H20N2O2/c1-3-10-19-17(20)13(2)21-16-6-4-14(5-7-16)15-8-11-18-12-9-15/h1,4-8,13,18H,9-12H2,2H3,(H,19,20)/p+1/t13-/m0/s1