(2S)-1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(9-carbazolyl)-3-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-carbazol-9-yl-3-(4-p-anisylpiperazin-4-ium-1-yl)propan-2-ol Formula: C27H32N3O2+ MolecularWeight: 430.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C[C@@H](CN3C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C27H31N3O2/c1-32-23-12-10-21(11-13-23)18-28-14-16-29(17-15-28)19-22(31)20-30-26-8-4-2-6-24(26)25-7-3-5-9-27(25)30/h2-13,22,31H,14-20H2,1H3/p+1/t22-/m0/s1