N-[3-chloranyl-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-chloranyl-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]propanamide Openeye Name: N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]propanamide CAS Name: N-[3-chloro-4-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]propanamide Traditional Name: N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]propionamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C)Cl

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C)Cl

InChI

InChI=1S/C17H24ClN3O2/c1-3-16(22)19-13-6-7-15(14(18)9-13)20-17(23)11-21-8-4-5-12(2)10-21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)/p+1/t12-/m1/s1