1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-indan-5-yl-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-indan-5-yl-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H31N3O3/c27-21(20-7-6-18-4-3-5-19(18)16-20)8-9-22(28)26-14-12-24(13-15-26)17-23(29)25-10-1-2-11-25/h6-7,16H,1-5,8-15,17H2/p+1