[4-(methylsulfonylmethyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(methylsulfonylmethyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(methylsulfonylmethyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(methylsulfonylmethyl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(methylsulfonylmethyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(mesylmethyl)phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H21N3O3S/c1-25(23,24)14-15-2-4-16(5-3-15)18(22)21-12-10-20(11-13-21)17-6-8-19-9-7-17/h2-9H,10-14H2,1H3/p+1