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2-[3,5-bis(bromanyl)-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylazanium

2-[3,5-bis(bromanyl)-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylazanium

Systemtic Name:2-[3,5-bis(bromanyl)-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylazanium
Openeye Name:2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylammonium
CAS Name:2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylammonium
IUPAC Name:2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylazanium
Traditional Name:2-[3,5-dibromo-4-[3-(carbonocyanidoylamino)propoxy]phenyl]ethylammonium
Formula: C13H16Br2N3O2+
MolecularWeight: 406.09304
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)CC[NH3+]


Isomeric SMILES

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)CC[NH3+]


InChI

InChI=1S/C13H15Br2N3O2/c14-10-6-9(2-3-16)7-11(15)13(10)20-5-1-4-18-12(19)8-17/h6-7H,1-5,16H2,(H,18,19)/p+1


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