N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-sulfonamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c1-16-5-3-6-17(13-16)14-21-8-10-22(11-9-21)18(23)15-20(2)27(24,25)19-7-4-12-26-19/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1