1-[3-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]phenyl]piperazin-1-ium-1-sulfonic acid

Systemtic Name: 1-[3-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]phenyl]piperazin-1-ium-1-sulfonic acid Openeye Name: 1-[3-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]phenyl]piperazin-1-ium-1-sulfonic acid CAS Name: 1-[3-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]phenyl]-1-piperazin-1-iumsulfonic acid IUPAC Name: 1-[3-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]phenyl]piperazin-1-ium-1-sulfonic acid Traditional Name: 1-[3-propyl-4-(2,3,4-trimethoxybenzyl)phenyl]piperazin-1-ium-1-sulfonic acid Formula: C23H33N2O6S+ MolecularWeight: 465.58292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)[N+]2(CCNCC2)S(=O)(=O)O)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)[N+]2(CCNCC2)S(=O)(=O)O)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C23H32N2O6S/c1-5-6-17-16-20(25(32(26,27)28)13-11-24-12-14-25)9-7-18(17)15-19-8-10-21(29-2)23(31-4)22(19)30-3/h7-10,16,24H,5-6,11-15H2,1-4H3/p+1