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

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(3-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=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN=CC=C3)OC

InChI

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