ethyl 4-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(indan-5-ylamino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(indan-5-ylamino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H27N3O3/c1-2-25-19(24)22-12-10-21(11-13-22)9-8-18(23)20-17-7-6-15-4-3-5-16(15)14-17/h6-7,14H,2-5,8-13H2,1H3,(H,20,23)/p+1