1-[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H28ClN4O3+ MolecularWeight: 395.90362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C19H27ClN4O3/c1-3-24(11-17(25)22-16-10-15(20)5-4-13(16)2)18(26)12-23-8-6-14(7-9-23)19(21)27/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H2,21,27)(H,22,25)/p+1