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

Systemtic Name: ethyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-methoxycarbonylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxycarbonylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-carbomethoxybenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-3-22-16(20)18-10-8-17(9-11-18)12-13-4-6-14(7-5-13)15(19)21-2/h4-7H,3,8-12H2,1-2H3/p+1