2-chloranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: 2-chloro-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]isonicotinamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C20H24ClN3O/c1-23(20(25)17-9-11-22-19(21)14-17)18-8-5-12-24(15-18)13-10-16-6-3-2-4-7-16/h2-4,6-7,9,11,14,18H,5,8,10,12-13,15H2,1H3/p+1/t18-/m0/s1