N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C22H32N4O2/c1-18-16-20(28-2)8-9-21(18)24-22(27)10-7-19-6-3-12-25(17-19)13-5-15-26-14-4-11-23-26/h4,8-9,11,14,16,19H,3,5-7,10,12-13,15,17H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1