N-(diphenylmethyl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-benzhydryl-2-[4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(diphenylmethyl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-benzhydryl-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidin-1-ium-1-yl]acetamide Formula: C27H29N6O+ MolecularWeight: 453.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC(=NN2)C3=CC=NC=C3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC(=NN2)C3=CC=NC=C3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c34-24(29-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-33-17-13-23(14-18-33)27-30-26(31-32-27)22-11-15-28-16-12-22/h1-12,15-16,23,25H,13-14,17-19H2,(H,29,34)(H,30,31,32)/p+1