(2S)-1-carbazol-9-yl-3-(4-phenethylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-carbazol-9-yl-3-(4-phenethylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2S)-1-carbazol-9-yl-3-(4-phenethylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2S)-1-(9-carbazolyl)-3-(4-phenethyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-carbazol-9-yl-3-(4-phenethylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2S)-1-carbazol-9-yl-3-(4-phenethylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C27H31N3O/c31-23(20-29-18-16-28(17-19-29)15-14-22-8-2-1-3-9-22)21-30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30/h1-13,23,31H,14-21H2/p+2/t23-/m1/s1