N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[4-methyl-3-[4-morpholinyl(oxo)methyl]-5-phenyl-2-thiophenyl]-2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3C4=CC=CN4C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CN4C)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3S/c1-19-24(27(33)30-14-16-34-17-15-30)26(35-25(19)20-8-4-3-5-9-20)28-23(32)18-31-13-7-11-22(31)21-10-6-12-29(21)2/h3-6,8-10,12,22H,7,11,13-18H2,1-2H3,(H,28,32)/p+1/t22-/m0/s1