N-(2,6-dimethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-keto-4-(5-methyl-2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)C

InChI

InChI=1S/C23H29N3O3S/c1-16-5-4-6-17(2)23(16)24-21(28)15-25-11-13-26(14-12-25)22(29)10-8-19(27)20-9-7-18(3)30-20/h4-7,9H,8,10-15H2,1-3H3,(H,24,28)/p+1