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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N3O2S/c1-26-20-9-8-17(14-21(20)27-2)22-23-18(16-28-22)15-24-10-12-25(13-11-24)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3/p+1