4-(dimethylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H28N4O3S/c1-15-8-10-24(11-9-15)19(20-5-4-12-29-20)14-22-21(26)16-6-7-17(23(2)3)18(13-16)25(27)28/h4-7,12-13,15,19H,8-11,14H2,1-3H3,(H,22,26)/p+1/t19-/m1/s1