N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide Formula: C19H33N4O+ MolecularWeight: 333.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)C

InChI

InChI=1S/C19H32N4O/c1-3-17-14(2)18(22-21-17)19(24)20-16-10-7-11-23(13-16)12-15-8-5-4-6-9-15/h15-16H,3-13H2,1-2H3,(H,20,24)(H,21,22)/p+1/t16-/m0/s1