N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCCC2C3=CC=CS3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-12-9-15(21(23)24)16(25-2)10-13(12)19-18(22)11-20-7-3-5-14(20)17-6-4-8-26-17/h4,6,8-10,14H,3,5,7,11H2,1-2H3,(H,19,22)/p+1/t14-/m1/s1