3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-9H-carbazol-2-ol

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-9H-carbazol-2-ol Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-9H-carbazol-2-ol CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-9H-carbazol-2-ol IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-9H-carbazol-2-ol Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-9H-carbazol-2-ol Formula: C22H24N4O+2 MolecularWeight: 360.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C3C(=C2)C4=CC=CC=C4N3)O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C3C(=C2)C4=CC=CC=C4N3)O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H22N4O/c27-21-14-20-18(17-5-1-2-6-19(17)24-20)13-16(21)15-25-9-11-26(12-10-25)22-7-3-4-8-23-22/h1-8,13-14,24,27H,9-12,15H2/p+2