(2S)-N-(2,5-dimethoxyphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethoxyphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethoxyphenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O4S/c1-14(19(24)21-16-13-15(26-2)6-7-17(16)27-3)22-8-10-23(11-9-22)20(25)18-5-4-12-28-18/h4-7,12-14H,8-11H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1