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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-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=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CNC4=CC=CC=C43

InChI

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