2-[(2-carboxy-5-phenyl-thiophen-3-yl)-(2,4-dichlorophenyl)carbonyl-amino]propylazanium

Systemtic Name: 2-[(2-carboxy-5-phenyl-thiophen-3-yl)-(2,4-dichlorophenyl)carbonyl-amino]propylazanium Openeye Name: 2-[(2-carboxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]propylammonium CAS Name: 2-[(2-carboxy-5-phenyl-3-thiophenyl)-[(2,4-dichlorophenyl)-oxomethyl]amino]propylammonium IUPAC Name: 2-[(2-carboxy-5-phenylthiophen-3-yl)-(2,4-dichlorobenzoyl)amino]propylazanium Traditional Name: 2-[(2-carboxy-5-phenyl-3-thienyl)-(2,4-dichlorobenzoyl)amino]propylammonium Formula: C21H19Cl2N2O3S+ MolecularWeight: 450.35816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C[NH3+])N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3S/c1-12(11-24)25(20(26)15-8-7-14(22)9-16(15)23)17-10-18(29-19(17)21(27)28)13-5-3-2-4-6-13/h2-10,12H,11,24H2,1H3,(H,27,28)/p+1