2-[2-(1,3-dioxolan-2-yl)phenyl]pyridin-1-ium-1-amine; 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(1,3-dioxolan-2-yl)phenyl]pyridin-1-ium-1-amine; 4-methylbenzenesulfonate Openeye Name: 2-[2-(1,3-dioxolan-2-yl)phenyl]pyridin-1-ium-1-amine; 4-methylbenzenesulfonate CAS Name: 2-[2-(1,3-dioxolan-2-yl)phenyl]-1-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: 2-[2-(1,3-dioxolan-2-yl)phenyl]pyridin-1-ium-1-amine; 4-methylbenzenesulfonate Traditional Name: [2-[2-(1,3-dioxolan-2-yl)phenyl]pyridin-1-ium-1-yl]amine tosylate Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC(O1)C2=CC=CC=C2C3=CC=CC=[N+]3N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COC(O1)C2=CC=CC=C2C3=CC=CC=[N+]3N

InChI

InChI=1S/C14H15N2O2.C7H8O3S/c15-16-8-4-3-7-13(16)11-5-1-2-6-12(11)14-17-9-10-18-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,14H,9-10,15H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1