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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H31N3O2/c1-2-29-24-10-6-3-7-19(24)17-27-13-12-26(18-21(27)11-14-28)16-20-15-25-23-9-5-4-8-22(20)23/h3-10,15,21,25,28H,2,11-14,16-18H2,1H3/p+1/t21-/m0/s1