1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium sulfate

Systemtic Name: 1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium sulfate Openeye Name: 1-benzylimidazo[1,2-a]pyridin-4-ium sulfate CAS Name: 1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium sulfate IUPAC Name: 1-benzylimidazo[1,2-a]pyridin-4-ium sulfate Traditional Name: 1-benzylimidazo[1,2-a]pyridin-4-ium sulfate Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C[N+]3=CC=CC=C23.C1=CC=C(C=C1)CN2C=C[N+]3=CC=CC=C23.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C[N+]3=CC=CC=C23.C1=CC=C(C=C1)CN2C=C[N+]3=CC=CC=C23.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H13N2.H2O4S/c2*1-2-6-13(7-3-1)12-16-11-10-15-9-5-4-8-14(15)16;1-5(2,3)4/h2*1-11H,12H2;(H2,1,2,3,4)/q2*+1;/p-2