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

Systemtic Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-ethyl-N-methyl-pyrazole-4-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-ethyl-N-methyl-pyrazole-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1-ethyl-N-methyl-4-pyrazolecarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-ethyl-N-methylpyrazole-4-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-ethyl-N-methyl-pyrazole-4-carboxamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N(C)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N(C)C[C@H]2CCC[NH+](C2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4O/c1-3-26-16-19(13-23-26)21(27)24(2)14-18-5-4-11-25(15-18)12-10-17-6-8-20(22)9-7-17/h6-9,13,16,18H,3-5,10-12,14-15H2,1-2H3/p+1/t18-/m1/s1