2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diethanoate

Systemtic Name: 2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diethanoate Openeye Name: 2-[2-(1-piperidyl)ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diacetate CAS Name: 2-[2-(1-piperidinyl)ethyl]-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diacetate IUPAC Name: 2-(2-piperidin-1-ylethyl)-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diacetate Traditional Name: 2-(2-piperidinoethyl)-7H-pyrido[4,3-c]carbazol-2-ium-10-ol diacetate Formula: C48H54N6O6 MolecularWeight: 810.97896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1CCN(CC1)CC[N+]2=CC3=C(C=CC4=C3C5=C(N4)C=CC(=C5)O)C=C2.C1CCN(CC1)CC[N+]2=CC3=C(C=CC4=C3C5=C(N4)C=CC(=C5)O)C=C2

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1CCN(CC1)CC[N+]2=CC3=C(C=CC4=C3C5=C(N4)C=CC(=C5)O)C=C2.C1CCN(CC1)CC[N+]2=CC3=C(C=CC4=C3C5=C(N4)C=CC(=C5)O)C=C2

InChI

InChI=1S/2C22H23N3O.2C2H4O2/c2*26-17-5-7-20-18(14-17)22-19-15-25(13-12-24-9-2-1-3-10-24)11-8-16(19)4-6-21(22)23-20;2*1-2(3)4/h2*4-8,11,14-15,26H,1-3,9-10,12-13H2;2*1H3,(H,3,4)