1-(phenylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-(phenylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepan-1-ium Openeye Name: 1-benzyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium CAS Name: 1-(phenylmethyl)-4-(1-phenyl-5-tetrazolyl)-1,4-diazepan-1-ium IUPAC Name: 1-benzyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Traditional Name: 1-benzyl-4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-ium Formula: C19H23N6+ MolecularWeight: 335.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NN=NN2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NN=NN2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N6/c1-3-8-17(9-4-1)16-23-12-7-13-24(15-14-23)19-20-21-22-25(19)18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2/p+1