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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(C3=CNC4=CC=CC=C43)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C[C@H](C3=CNC4=CC=CC=C43)O)C

InChI

InChI=1S/C22H27N3O/c1-16-6-5-9-21(17(16)2)25-12-10-24(11-13-25)15-22(26)19-14-23-20-8-4-3-7-18(19)20/h3-9,14,22-23,26H,10-13,15H2,1-2H3/p+1/t22-/m1/s1