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

Systemtic Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-ethyl-N,4-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N(C)C2CCC[NH+](C2)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O/c1-4-20-17(2)21(24-23-20)22(27)25(3)19-13-9-15-26(16-19)14-8-12-18-10-6-5-7-11-18/h5-7,10-11,19H,4,8-9,12-16H2,1-3H3,(H,23,24)/p+1/t19-/m0/s1