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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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