N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-[(5R)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2-[(5R)-4-oxidanylidene-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-thiazol-5-yl]acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-[(5R)-4-oxo-2-(1-pyrrolidinyl)-5-thiazolyl]acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[(5R)-4-keto-2-pyrrolidino-2-thiazolin-5-yl]-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C[C@@H]3C(=O)N=C(S3)N4CCCC4

InChI

InChI=1S/C21H27N5O3S/c1-24-10-12-25(13-11-24)20(29)15-4-6-16(7-5-15)22-18(27)14-17-19(28)23-21(30-17)26-8-2-3-9-26/h4-7,17H,2-3,8-14H2,1H3,(H,22,27)/p+1/t17-/m1/s1