1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H28N2O3S/c1-17-6-9-22(27-2)20(14-17)16-23-10-12-24(13-11-23)28(25,26)21-8-7-18-4-3-5-19(18)15-21/h6-9,14-15H,3-5,10-13,16H2,1-2H3/p+1