2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]ethanamide

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]ethanamide Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]acetamide CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]acetamide IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]acetamide Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]acetamide Formula: C18H32N5O+ MolecularWeight: 334.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2CCCN(C2)C3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N[C@H]2CCCN(C2)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H31N5O/c1-14-11-15(2)23(20-14)13-18(24)19-16-5-4-8-22(12-16)17-6-9-21(3)10-7-17/h11,16-17H,4-10,12-13H2,1-3H3,(H,19,24)/p+1/t16-/m0/s1