N-[5-butyl-1-[3-(3-methylpyridin-2-yl)-4-phenyl-1,2,3,4-tetrazol-2-yl]-1,2,4-triazol-1-ium-1-yl]methanamide

Systemtic Name: N-[5-butyl-1-[3-(3-methylpyridin-2-yl)-4-phenyl-1,2,3,4-tetrazol-2-yl]-1,2,4-triazol-1-ium-1-yl]methanamide Openeye Name: N-[5-butyl-1-[3-(3-methyl-2-pyridyl)-4-phenyl-tetrazol-2-yl]-1,2,4-triazol-1-ium-1-yl]formamide CAS Name: N-[5-butyl-1-[3-(3-methyl-2-pyridinyl)-4-phenyl-2-tetrazolyl]-1,2,4-triazol-1-ium-1-yl]formamide IUPAC Name: N-[5-butyl-1-[3-(3-methylpyridin-2-yl)-4-phenyltetrazol-2-yl]-1,2,4-triazol-1-ium-1-yl]formamide Traditional Name: N-[5-butyl-1-[3-(3-methyl-2-pyridyl)-4-phenyl-tetrazol-2-yl]-1,2,4-triazol-1-ium-1-yl]formamide Formula: C20H24N9O+ MolecularWeight: 406.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=N[N+]1(NC=O)N2N=CN(N2C3=C(C=CC=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC=N[N+]1(NC=O)N2N=CN(N2C3=C(C=CC=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C20H23N9O/c1-3-4-12-19-22-14-24-29(19,25-16-30)28-23-15-26(18-10-6-5-7-11-18)27(28)20-17(2)9-8-13-21-20/h5-11,13-16H,3-4,12H2,1-2H3/p+1