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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methyl-1H-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methyl-1H-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-5-methyl-1H-pyrazole-4-carboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methyl-1H-pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methyl-1H-pyrazole-4-carboxamide Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=C(C=NN1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C17H28N4O/c1-13-16(10-18-20-13)17(22)19-15-8-5-9-21(12-15)11-14-6-3-2-4-7-14/h10,14-15H,2-9,11-12H2,1H3,(H,18,20)(H,19,22)/p+1/t15-/m0/s1