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

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=N3)OC

InChI

InChI=1S/C21H29N3O3/c1-26-20-11-17(12-21(13-20)27-2)14-24-9-8-23(16-19(24)6-10-25)15-18-5-3-4-7-22-18/h3-5,7,11-13,19,25H,6,8-10,14-16H2,1-2H3/p+1/t19-/m0/s1