N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]thiophene-2-carboxamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N4O2S/c1-14(2)17(21-18(24)16-4-3-13-26-16)19(25)23-11-9-22(10-12-23)15-5-7-20-8-6-15/h3-8,13-14,17H,9-12H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1