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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-ethynylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-ethynylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-ethynylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(4-ethynylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(4-ethynylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)C#C

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)C#C

InChI

InChI=1S/C24H30N2O2/c1-3-20-9-11-21(12-10-20)17-25-14-15-26(23(19-25)13-16-27)18-22-7-5-6-8-24(22)28-4-2/h1,5-12,23,27H,4,13-19H2,2H3/p+1/t23-/m0/s1