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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-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:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)C

InChI

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