phenyl (3E)-3-[1-[azanyl(carbamimidoyl)amino]ethylidene]indol-1-ium-1-carboxylate

Systemtic Name: phenyl (3E)-3-[1-[azanyl(carbamimidoyl)amino]ethylidene]indol-1-ium-1-carboxylate Openeye Name: phenyl (3E)-3-[1-[amino(carbamimidoyl)amino]ethylidene]indol-1-ium-1-carboxylate CAS Name: (3E)-3-[1-[amino(carbamimidoyl)amino]ethylidene]-1-indol-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl (3E)-3-[1-[amino(carbamimidoyl)amino]ethylidene]indol-1-ium-1-carboxylate Traditional Name: (3E)-3-[1-[amidino(amino)amino]ethylidene]indol-1-ium-1-carboxylic acid phenyl ester Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=[N+](C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)N(C(=N)N)N

Isomeric SMILES

C/C(=C/1\C=[N+](C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)/N(C(=N)N)N

InChI

InChI=1S/C18H18N5O2/c1-12(23(21)17(19)20)15-11-22(16-10-6-5-9-14(15)16)18(24)25-13-7-3-2-4-8-13/h2-11H,21H2,1H3,(H3,19,20)/q+1