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tert-butyl-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]propyl]azanium

tert-butyl-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]propyl]azanium

Systemtic Name:tert-butyl-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]propyl]azanium
Openeye Name:tert-butyl-[3-[(3-oxobenzo[f]chromen-1-yl)methylammonio]propyl]ammonium
CAS Name:tert-butyl-[3-[(3-oxo-1-benzo[f][1]benzopyranyl)methylammonio]propyl]ammonium
IUPAC Name:tert-butyl-[3-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]propyl]azanium
Traditional Name:tert-butyl-[3-[(3-ketobenzo[f]chromen-1-yl)methylammonio]propyl]ammonium
Formula: C21H28N2O2+2
MolecularWeight: 340.45922
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCC[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2


Isomeric SMILES

CC(C)(C)[NH2+]CCC[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2


InChI

InChI=1S/C21H26N2O2/c1-21(2,3)23-12-6-11-22-14-16-13-19(24)25-18-10-9-15-7-4-5-8-17(15)20(16)18/h4-5,7-10,13,22-23H,6,11-12,14H2,1-3H3/p+2


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