1-[1-(4-methoxyphenyl)-2-phenyl-ethyl]-1-methyl-piperidin-1-ium

Systemtic Name: 1-[1-(4-methoxyphenyl)-2-phenyl-ethyl]-1-methyl-piperidin-1-ium Openeye Name: 1-[1-(4-methoxyphenyl)-2-phenyl-ethyl]-1-methyl-piperidin-1-ium CAS Name: 1-[1-(4-methoxyphenyl)-2-phenylethyl]-1-methylpiperidin-1-ium IUPAC Name: 1-[1-(4-methoxyphenyl)-2-phenylethyl]-1-methylpiperidin-1-ium Traditional Name: 1-[1-(4-methoxyphenyl)-2-phenyl-ethyl]-1-methyl-piperidin-1-ium Formula: C21H28NO+ MolecularWeight: 310.45312

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1(CCCCC1)C(CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28NO/c1-22(15-7-4-8-16-22)21(17-18-9-5-3-6-10-18)19-11-13-20(23-2)14-12-19/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3/q+1