2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-naphthylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-naphthalenylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(1-naphthylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCN(CC2CCO)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C26H32N2O3/c1-30-24-14-20(15-25(16-24)31-2)17-28-12-11-27(19-23(28)10-13-29)18-22-8-5-7-21-6-3-4-9-26(21)22/h3-9,14-16,23,29H,10-13,17-19H2,1-2H3/p+1/t23-/m0/s1