2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethynylphenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethynylbenzyl)-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)C#C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)C#C)OC

InChI

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