[4-benzamido-5-[(4-carboxyphenyl)amino]-5-oxidanylidene-pentyl]-carbamimidoyl-azanium

Systemtic Name: [4-benzamido-5-[(4-carboxyphenyl)amino]-5-oxidanylidene-pentyl]-carbamimidoyl-azanium Openeye Name: [4-benzamido-5-(4-carboxyanilino)-5-oxo-pentyl]-carbamimidoyl-ammonium CAS Name: [4-benzamido-5-(4-carboxyanilino)-5-oxopentyl]-carbamimidoylammonium IUPAC Name: [4-benzamido-5-(4-carboxyanilino)-5-oxopentyl]-carbamimidoylazanium Traditional Name: amidino-[4-benzamido-5-(4-carboxyanilino)-5-keto-pentyl]ammonium Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCC[NH2+]C(=N)N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCC[NH2+]C(=N)N)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)/p+1