2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C22H35N3O2/c1-3-16-27-22-7-5-4-6-19(22)17-24-13-14-25(21(18-24)10-15-26)20-8-11-23(2)12-9-20/h3-7,20-21,26H,1,8-18H2,2H3/p+1/t21-/m0/s1