3-azanyl-N-ethyl-4,6-dimethyl-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3-azanyl-N-ethyl-4,6-dimethyl-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3-amino-N-ethyl-4,6-dimethyl-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3-amino-N-ethyl-4,6-dimethyl-N-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3-amino-N-ethyl-4,6-dimethyl-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3-amino-N-ethyl-4,6-dimethyl-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(S2)[NH+]=C(C=C3C)C)N

InChI

InChI=1S/C18H19N3OS/c1-4-21(13-8-6-5-7-9-13)18(22)16-15(19)14-11(2)10-12(3)20-17(14)23-16/h5-10H,4,19H2,1-3H3/p+1