2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol CAS Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(1-methyl-4-piperidin-1-iumyl)-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenylprop-2-enyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(Z)-2-chloro-3-phenyl-allyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-2-yl]ethanol Formula: C21H33ClN3O+ MolecularWeight: 378.95922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCN(CC2CCO)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCN(C[C@@H]2CCO)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C21H32ClN3O/c1-23-10-7-20(8-11-23)25-13-12-24(17-21(25)9-14-26)16-19(22)15-18-5-3-2-4-6-18/h2-6,15,20-21,26H,7-14,16-17H2,1H3/p+1/b19-15-/t21-/m0/s1