(2S)-1-(3-bromanylcarbazol-9-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3-bromanylcarbazol-9-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3-bromocarbazol-9-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(3-bromo-9-carbazolyl)-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(3-bromocarbazol-9-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3-bromocarbazol-9-yl)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C20H26BrN3O+2 MolecularWeight: 404.34394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C42)O

InChI

InChI=1S/C20H24BrN3O/c1-22-8-10-23(11-9-22)13-16(25)14-24-19-5-3-2-4-17(19)18-12-15(21)6-7-20(18)24/h2-7,12,16,25H,8-11,13-14H2,1H3/p+2/t16-/m1/s1