1-[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H26N4O3S/c1-2-21(11-15(22)19-10-14-4-3-9-25-14)16(23)12-20-7-5-13(6-8-20)17(18)24/h3-4,9,13H,2,5-8,10-12H2,1H3,(H2,18,24)(H,19,22)/p+1