1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(5-piperidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C24H35N4O4S+ MolecularWeight: 475.6241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)OC)OC

InChI

InChI=1S/C24H34N4O4S/c1-19-15-22(31-2)23(32-3)16-20(19)18-26-11-13-27(14-12-26)24-8-7-21(17-25-24)33(29,30)28-9-5-4-6-10-28/h7-8,15-17H,4-6,9-14,18H2,1-3H3/p+1