N-ethyl-1,5-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazole-3-carboxamide

Systemtic Name: N-ethyl-1,5-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazole-3-carboxamide Openeye Name: N-ethyl-1,5-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazole-3-carboxamide CAS Name: N-ethyl-1,5-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-pyrazolecarboxamide IUPAC Name: N-ethyl-1,5-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazole-3-carboxamide Traditional Name: N-ethyl-1,5-dimethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]pyrazole-3-carboxamide Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=NN(C(=C3)C)C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=NN(C(=C3)C)C

InChI

InChI=1S/C23H34N4O/c1-5-27(23(28)22-16-19(3)25(4)24-22)17-20-10-13-26(14-11-20)15-12-21-9-7-6-8-18(21)2/h6-9,16,20H,5,10-15,17H2,1-4H3/p+1