[(1S)-2-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-bromo-5-ethoxy-4-methoxybenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-bromo-5-ethoxy-4-methoxy-benzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H28BrN2O4+ MolecularWeight: 452.36202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+](C)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+](C)C)Br)OC

InChI

InChI=1S/C21H27BrN2O4/c1-6-28-19-12-15(11-17(22)20(19)27-5)21(25)23-13-18(24(2)3)14-7-9-16(26-4)10-8-14/h7-12,18H,6,13H2,1-5H3,(H,23,25)/p+1/t18-/m1/s1