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

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O/c1-18-22(23(25)29(27-18)16-19-9-3-2-4-10-19)24(30)26-15-20-11-5-6-12-21(20)17-28-13-7-8-14-28/h2-6,9-12H,7-8,13-17H2,1H3,(H,26,30)/p+1