4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC[NH+]3CCCC3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC[NH+]3CCCC3)C)Cl

InChI

InChI=1S/C18H23ClN4O/c1-13-17(19)14(2)23(21-13)16-7-5-15(6-8-16)18(24)20-9-12-22-10-3-4-11-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,24)/p+1