(E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-pyridin-3-yl-prop-2-enamide hydrochloride

Systemtic Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-pyridin-3-yl-prop-2-enamide hydrochloride Openeye Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]-3-(3-pyridyl)prop-2-enamide hydrochloride CAS Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-(3-pyridinyl)-2-propenamide hydrochloride IUPAC Name: (E)-N-[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]-3-pyridin-3-ylprop-2-enamide hydrochloride Traditional Name: (E)-N-[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]-3-(3-pyridyl)acrylamide hydrochloride Formula: C28H26ClN4O4P MolecularWeight: 548.957201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)C=CC3=CN=CC=C3)OC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)/C=C/C3=CN=CC=C3)OC4=CC=CC=C4.Cl

InChI

InChI=1S/C28H25N4O4P.ClH/c29-27(30)22-14-16-23(17-15-22)28(32-26(33)18-13-21-8-7-19-31-20-21)37(34,35-24-9-3-1-4-10-24)36-25-11-5-2-6-12-25;/h1-20,28H,(H3,29,30)(H,32,33);1H/b18-13+;