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

Systemtic Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-1H-pyrazole-4-carboxamide IUPAC Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CNN=C3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CNN=C3

InChI

InChI=1S/C19H25ClN4O/c1-23(19(25)17-11-21-22-12-17)13-16-3-2-9-24(14-16)10-8-15-4-6-18(20)7-5-15/h4-7,11-12,16H,2-3,8-10,13-14H2,1H3,(H,21,22)/p+1/t16-/m1/s1