ethyl 4-[(6-oxidanyl-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(6-oxidanyl-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-hydroxyindan-5-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-hydroxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-hydroxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-hydroxyindan-5-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=C3CCCC3=C2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=C3CCCC3=C2)O

InChI

InChI=1S/C17H24N2O3/c1-2-22-17(21)19-8-6-18(7-9-19)12-15-10-13-4-3-5-14(13)11-16(15)20/h10-11,20H,2-9,12H2,1H3/p+1