N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCC[NH+](C2)CCCN3C=CC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC[C@H]2CCC[NH+](C2)CCCN3C=CC=N3)Cl

InChI

InChI=1S/C21H29ClN4O2/c1-28-20-8-7-18(15-19(20)22)24-21(27)9-6-17-5-2-11-25(16-17)12-4-14-26-13-3-10-23-26/h3,7-8,10,13,15,17H,2,4-6,9,11-12,14,16H2,1H3,(H,24,27)/p+1/t17-/m1/s1