N-(5-chloranyl-2-methoxy-phenyl)-3-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H29ClN4O2/c1-3-26-15-17(12-23-26)14-25-10-4-5-16(13-25)6-9-21(27)24-19-11-18(22)7-8-20(19)28-2/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,24,27)/p+1/t16-/m1/s1