(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(2-hydroxyethyl)-thiophen-2-ylcarbonyl-azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(2-hydroxyethyl)-thiophen-2-ylcarbonyl-azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(ethylamino)-(2-hydroxyethyl)-(thiophene-2-carbonyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(ethylamino)-(2-hydroxyethyl)-[oxo(thiophen-2-yl)methyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(ethylamino)-(2-hydroxyethyl)-(thiophene-2-carbonyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(ethylamino)-(2-hydroxyethyl)-(2-thenoyl)ammonium Formula: C23H26BrN2O3S+ MolecularWeight: 490.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+](CCO)(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCN[N+](CCO)(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H26BrN2O3S/c1-2-25-26(12-13-27,23(28)22-9-6-14-30-22)16-19-15-20(24)10-11-21(19)29-17-18-7-4-3-5-8-18/h3-11,14-15,25,27H,2,12-13,16-17H2,1H3/q+1