(2S)-1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,3-dimethyl-1-indolyl)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(CN3CC[NH+](CC3)C)O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C[C@H](CN3CC[NH+](CC3)C)O)C

InChI

InChI=1S/C18H27N3O/c1-14-15(2)21(18-7-5-4-6-17(14)18)13-16(22)12-20-10-8-19(3)9-11-20/h4-7,16,22H,8-13H2,1-3H3/p+1/t16-/m0/s1