1-[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C25H37N4O4S+ MolecularWeight: 489.65068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC(CC3)CCC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCC(CC3)CCC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H36N4O4S/c1-27-12-14-29(15-13-27)34(30,31)24-6-7-25(26-19-24)28-10-8-20(9-11-28)4-5-21-16-22(32-2)18-23(17-21)33-3/h6-7,16-20H,4-5,8-15H2,1-3H3/p+1