4-butyl-N-(2H-1,2,3,4-tetrazol-1-ium-1-ylmethyl)aniline

Systemtic Name: 4-butyl-N-(2H-1,2,3,4-tetrazol-1-ium-1-ylmethyl)aniline Openeye Name: 4-butyl-N-(2H-tetrazol-1-ium-1-ylmethyl)aniline CAS Name: 4-butyl-N-(2H-tetrazol-1-ium-1-ylmethyl)aniline IUPAC Name: 4-butyl-N-(2H-tetrazol-1-ium-1-ylmethyl)aniline Traditional Name: (4-butylphenyl)-(2H-tetrazol-1-ium-1-ylmethyl)amine Formula: C12H18N5+ MolecularWeight: 232.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC[N+]2=CN=NN2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC[N+]2=CN=NN2

InChI

InChI=1S/C12H17N5/c1-2-3-4-11-5-7-12(8-6-11)13-9-17-10-14-15-16-17/h5-8,10,13H,2-4,9H2,1H3/p+1