1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c1-19-6-5-7-20(16-19)18-24-12-14-25(15-13-24)22-9-8-21(17-23-22)29(27,28)26-10-3-2-4-11-26/h5-9,16-17H,2-4,10-15,18H2,1H3/p+2