(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(propylamino)-(1,3-thiazol-5-ylcarbonyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(propylamino)-(1,3-thiazol-5-ylcarbonyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(ethylamino)-(propylamino)-(thiazole-5-carbonyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(ethylamino)-[oxo(5-thiazolyl)methyl]-(propylamino)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(ethylamino)-(propylamino)-(1,3-thiazole-5-carbonyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(ethylamino)-(propylamino)-(thiazole-5-carbonyl)ammonium Formula: C23H28BrN4O2S+ MolecularWeight: 504.46302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+](CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CN=CS3)NCC

Isomeric SMILES

CCCN[N+](CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CN=CS3)NCC

InChI

InChI=1S/C23H28BrN4O2S/c1-3-12-27-28(26-4-2,23(29)22-14-25-17-31-22)15-19-13-20(24)10-11-21(19)30-16-18-8-6-5-7-9-18/h5-11,13-14,17,26-27H,3-4,12,15-16H2,1-2H3/q+1