ethyl 4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(m-tolylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-methylbenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C15H22N2O2/c1-3-19-15(18)17-9-7-16(8-10-17)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3/p+1