[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C18H30ClN2O3+ MolecularWeight: 357.8954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

InChI

InChI=1S/C18H29ClN2O3/c1-17(2,3)11-18(4,5)21-9-12-7-13(19)16(14(8-12)23-6)24-10-15(20)22/h7-8,21H,9-11H2,1-6H3,(H2,20,22)/p+1