N-(3-methylphenyl)-N-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-N-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(m-tolyl)-N-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(3-methylphenyl)-N-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(3-methylphenyl)-N-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(m-tolyl)-N-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C23H26N4OS/c1-18-7-6-10-22(15-18)27(19(2)28)23-24-20(17-29-23)16-25-11-13-26(14-12-25)21-8-4-3-5-9-21/h3-10,15,17H,11-14,16H2,1-2H3/p+1