ethyl 4-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-methylphenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(2-methylanilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(2-methylanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-keto-3-(o-toluidino)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC=CC=C2C

InChI

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