2-[10-(1,3-benzodioxol-5-yl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromanyl-phenol

Systemtic Name: 2-[10-(1,3-benzodioxol-5-yl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromanyl-phenol Openeye Name: 2-[10-(1,3-benzodioxol-5-yl)-3-isopropyl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromo-phenol CAS Name: 2-[10-(1,3-benzodioxol-5-yl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromophenol IUPAC Name: 2-[10-(1,3-benzodioxol-5-yl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromophenol Traditional Name: 2-[10-(1,3-benzodioxol-5-yl)-3-isopropyl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]-4-bromo-phenol Formula: C24H30BrN3O3+2 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2(CC1)[NH2+]C(C=C(N2)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)Br)O

Isomeric SMILES

CC(C)[NH+]1CCC2(CC1)[NH2+]C(C=C(N2)C3=CC4=C(C=C3)OCO4)C5=C(C=CC(=C5)Br)O

InChI

InChI=1S/C24H28BrN3O3/c1-15(2)28-9-7-24(8-10-28)26-19(16-3-6-22-23(11-16)31-14-30-22)13-20(27-24)18-12-17(25)4-5-21(18)29/h3-6,11-13,15,20,26-27,29H,7-10,14H2,1-2H3/p+2