2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethylindol-3-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-indolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1-ethylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN(C(C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O/c1-2-26-18-21(23-10-6-7-11-24(23)26)17-25-13-14-27(22(19-25)12-15-28)16-20-8-4-3-5-9-20/h3-11,18,22,28H,2,12-17,19H2,1H3/p+1/t22-/m0/s1