[3-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[2-(benzylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: [3-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: benzyl-[4-[2-(benzylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3/c1-2-29-24-15-22(17-26-16-20-9-5-3-6-10-20)13-14-23(24)30-19-25(28)27-18-21-11-7-4-8-12-21/h3-15,26H,2,16-19H2,1H3,(H,27,28)/p+1