2,6-dimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: 2,6-dimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: 2,6-dimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: 2,6-dimethoxy-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 2,6-dimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: 2,6-dimethoxy-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]nicotinamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O3/c1-26-19-11-10-18(21(23-19)27-2)20(25)22-17-9-6-13-24(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1