(2S)-1-(2,3-dimethylindol-1-yl)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2,3-dimethyl-1-indolyl)-3-[4-(4-methylphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-[4-(p-tolyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC(CN3C(=C(C4=CC=CC=C43)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H](CN3C(=C(C4=CC=CC=C43)C)C)O

InChI

InChI=1S/C24H31N3O/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)16-22(28)17-27-20(3)19(2)23-6-4-5-7-24(23)27/h4-11,22,28H,12-17H2,1-3H3/p+1/t22-/m1/s1