2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-4-ium-2-yl]ethanol Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCN(C(C2)CCO)C3CCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCN([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C21H32N2O2/c1-25-21-11-5-2-7-18(21)8-6-13-22-14-15-23(19-9-3-4-10-19)20(17-22)12-16-24/h2,5-8,11,19-20,24H,3-4,9-10,12-17H2,1H3/p+1/b8-6+/t20-/m0/s1