2-[1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-[3-(4-acetamidophenoxy)propyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[3-(4-acetamidophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C18H23N2O5S+ MolecularWeight: 379.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=C(C=C2)CCS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCCC[N+]2=CC=C(C=C2)CCS(=O)(=O)O

InChI

InChI=1S/C18H22N2O5S/c1-15(21)19-17-3-5-18(6-4-17)25-13-2-10-20-11-7-16(8-12-20)9-14-26(22,23)24/h3-8,11-12H,2,9-10,13-14H2,1H3,(H-,19,21,22,23,24)/p+1