3,5-dimethoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2CCC[NH+](C2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@H]2CCC[NH+](C2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-26-19-10-18(11-20(12-19)27-2)21(25)23-13-17-4-3-9-24(15-17)14-16-5-7-22-8-6-16/h5-8,10-12,17H,3-4,9,13-15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1