4-methyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiazole-5-carboxylate Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)C[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-11-14(16(19)20)21-15(17-11)13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7H,2-3,8-10H2,1H3,(H,19,20)