(3S)-4-ethyl-3-(2-oxidanylidene-2-spiro[indene-1,4'-piperidine]-1'-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3S)-4-ethyl-3-(2-oxidanylidene-2-spiro[indene-1,4'-piperidine]-1'-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3S)-4-ethyl-3-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-yl-ethyl)piperazin-4-ium-2-one CAS Name: (3S)-4-ethyl-3-[2-oxo-2-(1'-spiro[indene-1,4'-piperidine]yl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-4-ethyl-3-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)piperazin-4-ium-2-one Traditional Name: (3S)-4-ethyl-3-(2-keto-2-spiro[indene-1,4'-piperidine]-1'-yl-ethyl)piperazin-4-ium-2-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCNC(=O)C1CC(=O)N2CCC3(CC2)C=CC4=CC=CC=C34

Isomeric SMILES

CC[NH+]1CCNC(=O)[C@@H]1CC(=O)N2CCC3(CC2)C=CC4=CC=CC=C34

InChI

InChI=1S/C21H27N3O2/c1-2-23-14-11-22-20(26)18(23)15-19(25)24-12-9-21(10-13-24)8-7-16-5-3-4-6-17(16)21/h3-8,18H,2,9-15H2,1H3,(H,22,26)/p+1/t18-/m0/s1