1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C19H28N2O3S/c22-25(23,19-8-7-16-4-3-5-17(16)14-19)21-11-9-20(10-12-21)15-18-6-1-2-13-24-18/h7-8,14,18H,1-6,9-13,15H2/p+1/t18-/m1/s1