N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-isopropyl-N-methyl-pyrazole-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-1-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-isopropyl-N-methyl-pyrazole-4-carboxamide Formula: C22H32ClN4O+ MolecularWeight: 403.96868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N(C)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N(C)C[C@H]2CCC[NH+](C2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H31ClN4O/c1-17(2)27-16-20(13-24-27)22(28)25(3)14-19-5-4-11-26(15-19)12-10-18-6-8-21(23)9-7-18/h6-9,13,16-17,19H,4-5,10-12,14-15H2,1-3H3/p+1/t19-/m1/s1