2-(2-dodecyl-2-phenyl-1,2,3,4-tetrazol-2-ium-5-yl)-N-(3-methylpyridin-2-yl)ethanamide

Systemtic Name: 2-(2-dodecyl-2-phenyl-1,2,3,4-tetrazol-2-ium-5-yl)-N-(3-methylpyridin-2-yl)ethanamide Openeye Name: 2-(2-dodecyl-2-phenyl-tetrazol-2-ium-5-yl)-N-(3-methyl-2-pyridyl)acetamide CAS Name: 2-(2-dodecyl-2-phenyl-5-tetrazol-2-iumyl)-N-(3-methyl-2-pyridinyl)acetamide IUPAC Name: 2-(2-dodecyl-2-phenyltetrazol-2-ium-5-yl)-N-(3-methylpyridin-2-yl)acetamide Traditional Name: 2-(2-lauryl-2-phenyl-tetrazol-2-ium-5-yl)-N-(3-methyl-2-pyridyl)acetamide Formula: C27H39N6O+ MolecularWeight: 463.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(N=C(N=N1)CC(=O)NC2=C(C=CC=N2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC[N+]1(N=C(N=N1)CC(=O)NC2=C(C=CC=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C27H38N6O/c1-3-4-5-6-7-8-9-10-11-15-21-33(24-18-13-12-14-19-24)31-25(30-32-33)22-26(34)29-27-23(2)17-16-20-28-27/h12-14,16-20H,3-11,15,21-22H2,1-2H3/p+1