6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-methyl-2-[(1-oxo-3-phenoxypropyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-methyl-2-(3-phenoxypropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-21-9-7-13-14(11-21)25-18(16(13)17(19)23)20-15(22)8-10-24-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,19,23)(H,20,22)/p+1