[4-[2-oxidanylidene-2-(pentan-3-ylamino)ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-oxidanylidene-2-(pentan-3-ylamino)ethoxy]phenyl]methylazanium Openeye Name: [4-[2-(1-ethylpropylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]methylammonium IUPAC Name: [4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]methylazanium Traditional Name: [4-[2-(1-ethylpropylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CCC(CC)NC(=O)COC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C14H22N2O2/c1-3-12(4-2)16-14(17)10-18-13-7-5-11(9-15)6-8-13/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)/p+1