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

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidinyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C24H40N3O2+ MolecularWeight: 402.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C24H39N3O2/c1-4-17-29-24-8-6-5-7-21(24)18-25-14-15-27(23(19-25)11-16-28)22-9-12-26(13-10-22)20(2)3/h4-8,20,22-23,28H,1,9-19H2,2-3H3/p+1/t23-/m0/s1