(2R,4R)-3-azanylidene-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-thiolane-2-carboxamide

Systemtic Name: (2R,4R)-3-azanylidene-N-(3-cyanophenyl)-5-(2-methoxyethylimino)-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-thiolane-2-carboxamide Openeye Name: (2R,4R)-N-(3-cyanophenyl)-3-imino-5-(2-methoxyethylimino)-4-(4-methylpiperazin-4-ium-1-carbonyl)tetrahydrothiophene-2-carboxamide CAS Name: (2R,4R)-N-(3-cyanophenyl)-3-imino-5-(2-methoxyethylimino)-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-thiolanecarboxamide IUPAC Name: (2R,4R)-N-(3-cyanophenyl)-3-imino-5-(2-methoxyethylimino)-4-(4-methylpiperazin-4-ium-1-carbonyl)thiolane-2-carboxamide Traditional Name: (2R,4R)-N-(3-cyanophenyl)-3-imino-5-(2-methoxyethylimino)-4-(4-methylpiperazin-4-ium-1-carbonyl)tetrahydrothiophene-2-carboxamide Formula: C21H27N6O3S+ MolecularWeight: 443.54248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2C(=N)C(SC2=NCCOC)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2C(=N)[C@@H](SC2=NCCOC)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H26N6O3S/c1-26-7-9-27(10-8-26)21(29)16-17(23)18(31-20(16)24-6-11-30-2)19(28)25-15-5-3-4-14(12-15)13-22/h3-5,12,16,18,23H,6-11H2,1-2H3,(H,25,28)/p+1/t16-,18+/m0/s1