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

Systemtic Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethynylbenzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)C#C

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)C#C

InChI

InChI=1S/C21H31N3O/c1-3-18-4-6-19(7-5-18)16-23-13-14-24(21(17-23)10-15-25)20-8-11-22(2)12-9-20/h1,4-7,20-21,25H,8-17H2,2H3/p+1/t21-/m0/s1