N-(2-methyl-5-nitro-phenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C18H21N3O3S/c1-13-6-7-14(21(23)24)12-15(13)19-18(22)8-10-20-9-2-4-16(20)17-5-3-11-25-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3,(H,19,22)/p+1/t16-/m0/s1