1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(2-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-1-ium-2-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=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

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