ethyl 4-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-[(3-methylphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(3-methylanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(3-methylanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(3-methylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-keto-3-(m-toluidino)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C17H26ClN3O3 MolecularWeight: 355.85964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C.[Cl-]

InChI

InChI=1S/C17H25N3O3.ClH/c1-3-23-17(22)20-11-9-19(10-12-20)8-7-16(21)18-15-6-4-5-14(2)13-15;/h4-6,13H,3,7-12H2,1-2H3,(H,18,21);1H