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

Systemtic Name: methyl 5-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[oxo-[4-(1-pyrrolidin-1-iumylmethyl)anilino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-13-11-16(18(23)25-2)17(26-13)21-19(24)20-15-7-5-14(6-8-15)12-22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H2,20,21,24)/p+1