1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]azepan-1-ium

Systemtic Name: 1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]azepan-1-ium Openeye Name: 1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]azepan-1-ium CAS Name: 1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]azepan-1-ium Traditional Name: 1-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)benzyl]azepan-1-ium Formula: C14H19N5 MolecularWeight: 257.33416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC=C2C3=NN=N[N-]3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC=C2C3=NN=N[N-]3

InChI

InChI=1S/C14H18N5/c1-2-6-10-19(9-5-1)11-12-7-3-4-8-13(12)14-15-17-18-16-14/h3-4,7-8H,1-2,5-6,9-11H2/q-1/p+1