(2,3-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: [2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-o-veratryl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](CC1=C(C(=CC=C1)OC)OC)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S/c1-22(14-16-6-4-7-17(27-2)20(16)28-3)15-19(25)23-9-11-24(12-10-23)21(26)18-8-5-13-29-18/h4-8,13H,9-12,14-15H2,1-3H3/p+1