(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-indan-2-yl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-2-yl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-indan-2-yl-piperazin-4-ium-2-one Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CC2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H31N3O2/c26-21(24-11-6-2-1-3-7-12-24)16-20-22(27)23-10-13-25(20)19-14-17-8-4-5-9-18(17)15-19/h4-5,8-9,19-20H,1-3,6-7,10-16H2,(H,23,27)/p+1/t20-/m1/s1