2-methylpropyl 4-methyl-N-(2-methylphenyl)carbonyl-piperazin-4-ium-1-carboximidate

Systemtic Name: 2-methylpropyl 4-methyl-N-(2-methylphenyl)carbonyl-piperazin-4-ium-1-carboximidate Openeye Name: isobutyl 4-methyl-N-(2-methylbenzoyl)piperazin-4-ium-1-carboximidate CAS Name: 4-methyl-N-[(2-methylphenyl)-oxomethyl]-1-piperazin-4-iumcarboximidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-N-(2-methylbenzoyl)piperazin-4-ium-1-carboximidate Traditional Name: 4-methyl-N-o-toluoyl-piperazin-4-ium-1-carboximidic acid isobutyl ester Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=C(N2CC[NH+](CC2)C)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=C(N2CC[NH+](CC2)C)OCC(C)C

InChI

InChI=1S/C18H27N3O2/c1-14(2)13-23-18(21-11-9-20(4)10-12-21)19-17(22)16-8-6-5-7-15(16)3/h5-8,14H,9-13H2,1-4H3/p+1