trimethyl-[3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulen-1-yl]azanium iodide

Systemtic Name: trimethyl-[3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulen-1-yl]azanium iodide Openeye Name: [3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]-trimethyl-ammonium iodide CAS Name: [3-[4-(benzenesulfonamido)butyl]-6-propan-2-yl-1-azulenyl]-trimethylammonium iodide IUPAC Name: [3-[4-(benzenesulfonamido)butyl]-6-propan-2-ylazulen-1-yl]-trimethylazanium iodide Traditional Name: [3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]-trimethyl-ammonium iodide Formula: C26H35IN2O2S MolecularWeight: 566.53777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2[N+](C)(C)C)CCCCNS(=O)(=O)C3=CC=CC=C3)C=C1.[I-]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2[N+](C)(C)C)CCCCNS(=O)(=O)C3=CC=CC=C3)C=C1.[I-]

InChI

InChI=1S/C26H35N2O2S.HI/c1-20(2)21-14-16-24-22(19-26(28(3,4)5)25(24)17-15-21)11-9-10-18-27-31(29,30)23-12-7-6-8-13-23;/h6-8,12-17,19-20,27H,9-11,18H2,1-5H3;1H/q+1;/p-1