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

Systemtic Name: 4-bromanyl-2-[10-(4-ethylphenyl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]phenol Openeye Name: 4-bromo-2-[10-(4-ethylphenyl)-3-isopropyl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]phenol CAS Name: 4-bromo-2-[10-(4-ethylphenyl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]phenol IUPAC Name: 4-bromo-2-[10-(4-ethylphenyl)-3-propan-2-yl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]phenol Traditional Name: 4-bromo-2-[10-(4-ethylphenyl)-3-isopropyl-11-aza-3,7-diazoniaspiro[5.5]undec-9-en-8-yl]phenol Formula: C25H34BrN3O+2 MolecularWeight: 472.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC([NH2+]C3(N2)CC[NH+](CC3)C(C)C)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC([NH2+]C3(N2)CC[NH+](CC3)C(C)C)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C25H32BrN3O/c1-4-18-5-7-19(8-6-18)22-16-23(21-15-20(26)9-10-24(21)30)28-25(27-22)11-13-29(14-12-25)17(2)3/h5-10,15-17,23,27-28,30H,4,11-14H2,1-3H3/p+2