5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H30N4O/c1-4-19-16(2)20(23-22-19)21(26)24(3)18-11-8-13-25(15-18)14-12-17-9-6-5-7-10-17/h5-7,9-10,18H,4,8,11-15H2,1-3H3,(H,22,23)/p+1/t18-/m0/s1