3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonium Formula: C21H37N2O4+ MolecularWeight: 381.52948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC(C)(C)C)OC

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C21H36N2O4/c1-6-7-12-26-13-8-11-22-15-17-9-10-18(19(14-17)25-5)27-16-20(24)23-21(2,3)4/h9-10,14,22H,6-8,11-13,15-16H2,1-5H3,(H,23,24)/p+1