1-[(2-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-(o-tolylmethyl)-4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-(5-piperidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-19-7-3-4-8-20(19)18-24-13-15-25(16-14-24)22-10-9-21(17-23-22)29(27,28)26-11-5-2-6-12-26/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3/p+1