(3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC=C(N1C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-16-22-13-20(25(16)2)15-26-10-4-6-17(14-26)21(28)24-18-7-3-8-19(12-18)27-11-5-9-23-27/h3,5,7-9,11-13,17H,4,6,10,14-15H2,1-2H3,(H,24,28)/p+1/t17-/m0/s1