N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4S/c1-13(19(26)24-21-15(11-22)6-9-30-21)25-7-4-14(5-8-25)20(27)23-16-2-3-17-18(10-16)29-12-28-17/h2-3,6,9-10,13-14H,4-5,7-8,12H2,1H3,(H,23,27)(H,24,26)/p+1/t13-/m1/s1