1-[4-methoxy-3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[4-methoxy-3-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[3-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C20H26NO2/c1-5-16(6-2)17-9-11-21(12-10-17)14-19-13-18(15(3)22)7-8-20(19)23-4/h7-13,16H,5-6,14H2,1-4H3/q+1