(E)-1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[4-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-[4-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-(4-methylolpiperidin-1-ium-1-yl)piperidino]-3-(3-pyridyl)prop-2-en-1-one Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CN=CC=C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CN=CC=C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C19H27N3O2/c23-15-17-7-11-21(12-8-17)18-4-2-10-22(14-18)19(24)6-5-16-3-1-9-20-13-16/h1,3,5-6,9,13,17-18,23H,2,4,7-8,10-12,14-15H2/p+1/b6-5+/t18-/m0/s1