1-(3,4-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C17H21N3O4S/c1-23-15-7-6-14(13-16(15)24-2)25(21,22)20-11-9-19(10-12-20)17-5-3-4-8-18-17/h3-8,13H,9-12H2,1-2H3/p+1