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

Systemtic Name: trimethyl-[3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulen-1-yl]azanium Openeye Name: [3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]-trimethyl-ammonium CAS Name: [3-[4-(benzenesulfonamido)butyl]-6-propan-2-yl-1-azulenyl]-trimethylammonium IUPAC Name: [3-[4-(benzenesulfonamido)butyl]-6-propan-2-ylazulen-1-yl]-trimethylazanium Traditional Name: [3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]-trimethyl-ammonium Formula: C26H35N2O2S+ MolecularWeight: 439.6333

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N2O2S/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/q+1