(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

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