[(4-carbamimidoylphenyl)amino] 3-[6-[[(E)-but-2-enyl]amino]-1-oxidanidyl-4-oxidanylidene-3H-pyridin-1-ium-5-yl]propanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 3-[6-[[(E)-but-2-enyl]amino]-1-oxidanidyl-4-oxidanylidene-3H-pyridin-1-ium-5-yl]propanoate Openeye Name: (4-carbamimidoylanilino) 3-[6-[[(E)-but-2-enyl]amino]-1-oxido-4-oxo-3H-pyridin-1-ium-5-yl]propanoate CAS Name: 3-[6-[[(E)-but-2-enyl]amino]-1-oxido-4-oxo-3H-pyridin-1-ium-5-yl]propanoic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 3-[6-[[(E)-but-2-enyl]amino]-1-oxido-4-oxo-3H-pyridin-1-ium-5-yl]propanoate Traditional Name: 3-[6-[[(E)-but-2-enyl]amino]-4-keto-1-oxido-3H-pyridin-1-ium-5-yl]propionic acid (4-amidinoanilino) ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=O)CC=[N+]1[O-])CCC(=O)ONC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C/C=C/CNC1=C(C(=O)CC=[N+]1[O-])CCC(=O)ONC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H23N5O4/c1-2-3-11-22-19-15(16(25)10-12-24(19)27)8-9-17(26)28-23-14-6-4-13(5-7-14)18(20)21/h2-7,12,22-23H,8-11H2,1H3,(H3,20,21)/b3-2+