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

Systemtic Name: (1S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanol CAS Name: (1S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanol IUPAC Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanol Traditional Name: (1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanol Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(CN3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](CN3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H27N3O/c1-17-22(19-9-5-6-10-20(19)23-17)21(26)16-25-13-11-24(12-14-25)15-18-7-3-2-4-8-18/h2-10,21,23,26H,11-16H2,1H3/p+1/t21-/m1/s1