3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(3-phenylpropyl)-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C17H22NO3S+ MolecularWeight: 320.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H21NO3S/c19-22(20,21)15-5-12-18-13-10-17(11-14-18)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,13-14H,4-5,8-9,12,15H2/p+1