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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(4-methoxyphenyl)allyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[(E)-3-(4-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=C(C=C1)C=CC[NH+]2CCN(C(C2)CCO)C3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2/c1-25-21-10-8-18(9-11-21)5-4-13-22-14-15-23(19-6-2-3-7-19)20(17-22)12-16-24/h4-5,8-11,19-20,24H,2-3,6-7,12-17H2,1H3/p+1/b5-4+/t20-/m0/s1