tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-methoxycarbonylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-carbomethoxybenzyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-14-5-7-15(8-6-14)16(21)23-4/h5-8H,9-13H2,1-4H3/p+1