N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2CCC[NH+](C2)CC3CCCCC3)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)C

InChI

InChI=1S/C20H34N4O/c1-16-13-17(2)24(22-16)12-10-20(25)21-19-9-6-11-23(15-19)14-18-7-4-3-5-8-18/h13,18-19H,3-12,14-15H2,1-2H3,(H,21,25)/p+1/t19-/m0/s1