2,3,4-trimethoxy-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2,3,4-trimethoxy-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2,3,4-trimethoxy-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 2,3,4-trimethoxy-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2,3,4-trimethoxy-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2,3,4-trimethoxy-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-26-18-10-9-17(19(27-2)20(18)28-3)21(25)23-16-8-6-12-24(14-16)13-15-7-4-5-11-22-15/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3,(H,23,25)/p+1/t16-/m0/s1