3-[4-[(2-cyanophenyl)carbamoyl]phenoxy]propylazanium

Systemtic Name: 3-[4-[(2-cyanophenyl)carbamoyl]phenoxy]propylazanium Openeye Name: 3-[4-[(2-cyanophenyl)carbamoyl]phenoxy]propylammonium CAS Name: 3-[4-[(2-cyanoanilino)-oxomethyl]phenoxy]propylammonium IUPAC Name: 3-[4-[(2-cyanophenyl)carbamoyl]phenoxy]propylazanium Traditional Name: 3-[4-[(2-cyanophenyl)carbamoyl]phenoxy]propylammonium Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=C(C=C2)OCCC[NH3+]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)C2=CC=C(C=C2)OCCC[NH3+]

InChI

InChI=1S/C17H17N3O2/c18-10-3-11-22-15-8-6-13(7-9-15)17(21)20-16-5-2-1-4-14(16)12-19/h1-2,4-9H,3,10-11,18H2,(H,20,21)/p+1