(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]azanium Openeye Name: (4-allyloxy-3-bromo-5-ethoxy-phenyl)methyl-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-1-oxo-1-(propylamino)propan-2-yl]azanium Traditional Name: (4-allyloxy-3-bromo-5-ethoxy-benzyl)-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]ammonium Formula: C18H28BrN2O3+ MolecularWeight: 400.33052

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC=C)OCC

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC=C)OCC

InChI

InChI=1S/C18H27BrN2O3/c1-5-8-20-18(22)13(4)21-12-14-10-15(19)17(24-9-6-2)16(11-14)23-7-3/h6,10-11,13,21H,2,5,7-9,12H2,1,3-4H3,(H,20,22)/p+1/t13-/m0/s1