3-[(4-bromophenyl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-bromophenyl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-bromobenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-bromophenyl)-oxomethyl]-(4-phenyl-2-thiazolyl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-bromobenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethylazanium Traditional Name: 3-[(4-bromobenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-diethyl-ammonium Formula: C23H27BrN3OS+ MolecularWeight: 473.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H26BrN3OS/c1-3-26(4-2)15-8-16-27(22(28)19-11-13-20(24)14-12-19)23-25-21(17-29-23)18-9-6-5-7-10-18/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3/p+1