N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzamide Openeye Name: N-[2-(6-isopropyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzamide CAS Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(5,7-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[2-(6-isopropyl-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl)ethyl]-4-nitro-benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C([N+]1(CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)C)SC=C2

Isomeric SMILES

CC1CC2=C(C([N+]1(CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)C)SC=C2

InChI

InChI=1S/C21H27N3O3S/c1-14(2)24(15(3)13-18-9-12-28-20(18)16(24)4)11-10-22-21(25)17-5-7-19(8-6-17)23(26)27/h5-9,12,14-16H,10-11,13H2,1-4H3/p+1