1-[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H24Cl2N3O2+ MolecularWeight: 421.34016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H23Cl2N3O2/c1-14-7-8-17(22)20(19(14)23)25-18(27)13-26-11-9-15(10-12-26)21(28)24-16-5-3-2-4-6-16/h2-8,15H,9-13H2,1H3,(H,24,28)(H,25,27)/p+1