5-chloranyl-1,3-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C18H23ClN4O/c1-13-16(17(19)22(2)21-13)18(24)20-15-8-10-23(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,20,24)/p+1