ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+]2CCCC2C3=CC=CN3C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+]2CCC[C@@H]2C3=CC=CN3C)C(=O)NC)N

InChI

InChI=1S/C19H26N4O3S/c1-4-26-19(25)15-12(16(18(24)21-2)27-17(15)20)11-23-10-6-8-14(23)13-7-5-9-22(13)3/h5,7,9,14H,4,6,8,10-11,20H2,1-3H3,(H,21,24)/p+1/t14-/m1/s1