[4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] ethanoate

Systemtic Name: [4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] ethanoate Openeye Name: [4-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl] acetate CAS Name: acetic acid [4-[oxo-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [4-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

InChI

InChI=1S/C17H19N3O3S/c1-12(21)23-15-6-4-13(5-7-15)16(22)19-17-18-14(11-24-17)10-20-8-2-3-9-20/h4-7,11H,2-3,8-10H2,1H3,(H,18,19,22)/p+1