(3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[(E)-4-(2-ethoxyphenoxy)but-2-enyl]-3-methyl-piperidin-1-ium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC=CC[NH+]2CCCC(C2)C

Isomeric SMILES

CCOC1=CC=CC=C1OC/C=C/C[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C18H27NO2/c1-3-20-17-10-4-5-11-18(17)21-14-7-6-12-19-13-8-9-16(2)15-19/h4-7,10-11,16H,3,8-9,12-15H2,1-2H3/p+1/b7-6+/t16-/m0/s1