ethyl 4-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(o-tolylmethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[(2-methylbenzyl)amino]ethyl]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)CC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=CC=C2C

InChI

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