N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)C

InChI

InChI=1S/C24H27N3O2S/c1-16-7-6-8-17(2)22(16)25-21(28)15-26-11-13-27(14-12-26)24(29)23-18(3)19-9-4-5-10-20(19)30-23/h4-10H,11-15H2,1-3H3,(H,25,28)/p+1