1-[3,6-bis(chloranyl)carbazol-9-yl]-3-piperazine-1,4-diium-1-yl-propan-2-ol; ethanedioate

Systemtic Name: 1-[3,6-bis(chloranyl)carbazol-9-yl]-3-piperazine-1,4-diium-1-yl-propan-2-ol; ethanedioate Openeye Name: 1-(3,6-dichlorocarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; oxalate CAS Name: 1-(3,6-dichloro-9-carbazolyl)-3-(1-piperazine-1,4-diiumyl)-2-propanol; oxalate IUPAC Name: 1-(3,6-dichlorocarbazol-9-yl)-3-piperazine-1,4-diium-1-ylpropan-2-ol; oxalate Traditional Name: 1-(3,6-dichlorocarbazol-9-yl)-3-piperazine-1,4-diium-1-yl-propan-2-ol; oxalate Formula: C21H23Cl2N3O5 MolecularWeight: 468.33042

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C19H21Cl2N3O.C2H2O4/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;3-1(4)2(5)6/h1-4,9-10,15,22,25H,5-8,11-12H2;(H,3,4)(H,5,6)