[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H29N3O3/c1-5-26-19-11-16(12-23-14-17-7-6-10-22-13-17)8-9-18(19)27-15-20(25)24-21(2,3)4/h6-11,13,23H,5,12,14-15H2,1-4H3,(H,24,25)/p+1