2-(3-bromophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(3-bromophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3-bromophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3-bromophenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(3-bromophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3-bromophenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H21BrN3S+ MolecularWeight: 415.36984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3S/c21-17-6-4-5-16(13-17)20-22-18(15-25-20)14-23-9-11-24(12-10-23)19-7-2-1-3-8-19/h1-8,13,15H,9-12,14H2/p+1