tert-butyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H36N3O4+ MolecularWeight: 430.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H35N3O4/c1-24(2,3)31-23(29)27-9-6-19(7-10-27)22(28)26-13-11-25(12-14-26)17-18-4-5-21-20(16-18)8-15-30-21/h4-5,16,19H,6-15,17H2,1-3H3/p+1