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

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C24H31N3O3/c1-29-21-11-18(12-22(13-21)30-2)15-27-9-8-26(17-20(27)7-10-28)16-19-14-25-24-6-4-3-5-23(19)24/h3-6,11-14,20,25,28H,7-10,15-17H2,1-2H3/p+1/t20-/m0/s1