3-azanyl-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-4,6-dimethyl-7-phenacyl-N-(1-phenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C2=C1C(=C(S2)C(=O)NC(C)C3=CC=CC=C3)N)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=[N+](C2=C1C(=C(S2)C(=O)NC(C)C3=CC=CC=C3)N)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O2S/c1-16-14-17(2)29(15-21(30)20-12-8-5-9-13-20)26-22(16)23(27)24(32-26)25(31)28-18(3)19-10-6-4-7-11-19/h4-14,18H,15H2,1-3H3,(H2-,27,28,31)/p+1