(2R)-N-(2-chloranylpyridin-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranylpyridin-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-chloro-3-pyridyl)propanamide CAS Name: (2R)-N-(2-chloro-3-pyridinyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-chloropyridin-3-yl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-chloro-3-pyridyl)propionamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O/c1-15(20(25)23-18-8-5-11-22-19(18)21)24-12-9-17(10-13-24)14-16-6-3-2-4-7-16/h2-8,11,15,17H,9-10,12-14H2,1H3,(H,23,25)/p+1/t15-/m1/s1