1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethyl-pyridin-1-ium

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethyl-pyridin-1-ium Openeye Name: 1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethyl-pyridin-1-ium CAS Name: 1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethylpyridin-1-ium IUPAC Name: 1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethylpyridin-1-ium Traditional Name: 1-[4-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]butyl]-3,4-dimethyl-pyridin-1-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)CCCCC2(OCCO2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=[N+](C=C1)CCCCC2(OCCO2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H28NO3/c1-17-10-13-22(16-18(17)2)12-5-4-11-21(24-14-15-25-21)19-6-8-20(23-3)9-7-19/h6-10,13,16H,4-5,11-12,14-15H2,1-3H3/q+1