3-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]aniline

Systemtic Name: 3-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]aniline Openeye Name: 3-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]aniline CAS Name: 3-[5-(1-azepan-1-iumylmethyl)-1-tetrazolyl]aniline IUPAC Name: 3-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]aniline Traditional Name: [3-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]phenyl]amine Formula: C14H21N6+ MolecularWeight: 273.35674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)N

InChI

InChI=1S/C14H20N6/c15-12-6-5-7-13(10-12)20-14(16-17-18-20)11-19-8-3-1-2-4-9-19/h5-7,10H,1-4,8-9,11,15H2/p+1