[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-butyl-azanium

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-butyl-azanium Openeye Name: [3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methyl-butyl-ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl-butylammonium IUPAC Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl-butylazanium Traditional Name: [3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-methoxy-benzyl]-butyl-ammonium Formula: C18H30BrN2O3+ MolecularWeight: 402.3464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O3/c1-6-7-8-20-11-13-9-14(19)17(15(10-13)23-5)24-12-16(22)21-18(2,3)4/h9-10,20H,6-8,11-12H2,1-5H3,(H,21,22)/p+1