2,3,3-trimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indol-1-ium-5-sulfonate

Systemtic Name: 2,3,3-trimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxidanylidene-hexyl]indol-1-ium-5-sulfonate Openeye Name: 1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-oxo-hexyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: 2,3,3-trimethyl-1-[6-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-6-oxohexyl]-5-indol-1-iumsulfonate IUPAC Name: 2,3,3-trimethyl-1-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-6-oxohexyl]indol-1-ium-5-sulfonate Traditional Name: 1-[6-[3-(tert-butoxycarbonylamino)propylamino]-6-keto-hexyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C25H39N3O6S MolecularWeight: 509.65866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)NCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)NCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C25H39N3O6S/c1-18-25(5,6)20-17-19(35(31,32)33)12-13-21(20)28(18)16-9-7-8-11-22(29)26-14-10-15-27-23(30)34-24(2,3)4/h12-13,17H,7-11,14-16H2,1-6H3,(H2-,26,27,29,30,31,32,33)