5-chloranyl-3-methyl-1-(phenylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O/c1-19-23(24(26)30(28-19)17-20-10-4-2-5-11-20)25(31)27-16-21-12-6-7-13-22(21)18-29-14-8-3-9-15-29/h2,4-7,10-13H,3,8-9,14-18H2,1H3,(H,27,31)/p+1