tert-butyl 1-(5-aminocarbonyl-1-benzofuran-7-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(5-aminocarbonyl-1-benzofuran-7-yl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(5-carbamoylbenzofuran-7-yl)piperazin-1-ium-1-carboxylate CAS Name: 1-(5-carbamoyl-7-benzofuranyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(5-carbamoyl-1-benzofuran-7-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(5-carbamoylbenzofuran-7-yl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C3C(=CC(=C2)C(=O)N)C=CO3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C3C(=CC(=C2)C(=O)N)C=CO3

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21(7-5-20-6-8-21)14-11-13(16(19)22)10-12-4-9-24-15(12)14/h4,9-11,20H,5-8H2,1-3H3,(H-,19,22)/p+1