2-chloranyl-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pyridine-4-carboxamide CAS Name: 2-chloro-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]isonicotinamide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O2/c1-3-27(23(28)20-9-11-25-22(24)15-20)17-19-7-5-12-26(16-19)13-10-18-6-4-8-21(14-18)29-2/h4,6,8-9,11,14-15,19H,3,5,7,10,12-13,16-17H2,1-2H3/p+1/t19-/m0/s1