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

Systemtic Name: 4-methoxy-1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]piperidin-1-ium Openeye Name: 4-methoxy-1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]piperidin-1-ium CAS Name: 4-methoxy-1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-methoxy-1-[[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]piperidin-1-ium Traditional Name: 4-methoxy-1-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)benzyl]piperidin-1-ium Formula: C14H19N5O MolecularWeight: 273.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC[NH+](CC1)CC2=CC=CC=C2C3=NN=N[N-]3

Isomeric SMILES

COC1CC[NH+](CC1)CC2=CC=CC=C2C3=NN=N[N-]3

InChI

InChI=1S/C14H18N5O/c1-20-12-6-8-19(9-7-12)10-11-4-2-3-5-13(11)14-15-17-18-16-14/h2-5,12H,6-10H2,1H3/q-1/p+1