1-(4-chlorophenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide CAS Name: 1-(4-chlorophenyl)-N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-1-cyclopropanecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropane-1-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]cyclopropanecarboxamide Formula: C22H30ClN4O+ MolecularWeight: 401.9528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H29ClN4O/c23-20-7-5-19(6-8-20)22(9-10-22)21(28)24-16-18-4-1-12-26(17-18)13-3-15-27-14-2-11-25-27/h2,5-8,11,14,18H,1,3-4,9-10,12-13,15-17H2,(H,24,28)/p+1/t18-/m1/s1