(3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@H](C3)C(=O)N)C

InChI

InChI=1S/C18H24N4O/c1-12-5-6-14(8-13(12)2)17-16(9-20-21-17)11-22-7-3-4-15(10-22)18(19)23/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H2,19,23)(H,20,21)/p+1/t15-/m1/s1