1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Formula: C17H23N3O3S+2 MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C[NH+]=CC=C3

InChI

InChI=1S/C17H21N3O3S/c1-23-16-4-6-17(7-5-16)24(21,22)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15/h2-8,13H,9-12,14H2,1H3/p+2