4-[6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-(4-veratrylpiperazin-4-ium-1-yl)-3-pyridyl]sulfonyl]morpholine Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)OC

InChI

InChI=1S/C22H30N4O5S/c1-29-20-5-3-18(15-21(20)30-2)17-24-7-9-25(10-8-24)22-6-4-19(16-23-22)32(27,28)26-11-13-31-14-12-26/h3-6,15-16H,7-14,17H2,1-2H3/p+1