N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Traditional Name: [(1-benzylpiperidin-1-ium-4-ylidene)amino]-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)amine Formula: C13H17N7 MolecularWeight: 271.32098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC2=NN=N[N-]2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNC2=NN=N[N-]2)CC3=CC=CC=C3

InChI

InChI=1S/C13H16N7/c1-2-4-11(5-3-1)10-20-8-6-12(7-9-20)14-15-13-16-18-19-17-13/h1-5H,6-10H2,(H-,15,16,17,18,19)/q-1/p+1