3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCC(CC2)CCC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC(CC2)CCC(=O)N3CCCC3

InChI

InChI=1S/C22H32N2O2/c1-26-21-9-3-2-7-20(21)8-6-14-23-17-12-19(13-18-23)10-11-22(25)24-15-4-5-16-24/h2-3,6-9,19H,4-5,10-18H2,1H3/p+1/b8-6+