(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium Openeye Name: (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium CAS Name: (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium Traditional Name: (3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-1-ium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCC[NH+]2CCCC(C2)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCC[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C17H27NO2/c1-3-12-19-16-6-8-17(9-7-16)20-13-11-18-10-4-5-15(2)14-18/h6-9,15H,3-5,10-14H2,1-2H3/p+1/t15-/m0/s1