N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]propyl]benzamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]amino]butan-2-yl]benzamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]propyl]benzamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=CS1)C[NH+]2CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC(=CS1)C[NH+]2CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-14(2)17(22-18(25)15-8-4-3-5-9-15)19(26)23-20-21-16(13-27-20)12-24-10-6-7-11-24/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3,(H,22,25)(H,21,23,26)/p+1/t17-/m0/s1