4-[3-(5-azanyl-3-prop-2-enyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-prop-2-enyl-1,2,3-oxadiazol-3-ium-5-amine dichloride

Systemtic Name: 4-[3-(5-azanyl-3-prop-2-enyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-prop-2-enyl-1,2,3-oxadiazol-3-ium-5-amine dichloride Openeye Name: 3-allyl-4-[3-(3-allyl-5-amino-oxadiazol-3-ium-4-yl)phenyl]oxadiazol-3-ium-5-amine dichloride CAS Name: 4-[3-(5-amino-3-prop-2-enyl-4-oxadiazol-3-iumyl)phenyl]-3-prop-2-enyl-5-oxadiazol-3-iumamine dichloride IUPAC Name: 4-[3-(5-amino-3-prop-2-enyloxadiazol-3-ium-4-yl)phenyl]-3-prop-2-enyloxadiazol-3-ium-5-amine dichloride Traditional Name: [3-allyl-4-[3-(3-allyl-5-amino-oxadiazol-3-ium-4-yl)phenyl]oxadiazol-3-ium-5-yl]amine dichloride Formula: C16H18Cl2N6O2 MolecularWeight: 397.25912

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=NOC(=C1C2=CC(=CC=C2)C3=C(ON=[N+]3CC=C)N)N.[Cl-].[Cl-]

Isomeric SMILES

C=CC[N+]1=NOC(=C1C2=CC(=CC=C2)C3=C(ON=[N+]3CC=C)N)N.[Cl-].[Cl-]

InChI

InChI=1S/C16H18N6O2.2ClH/c1-3-8-21-13(15(17)23-19-21)11-6-5-7-12(10-11)14-16(18)24-20-22(14)9-4-2;;/h3-7,10H,1-2,8-9,17-18H2;2*1H/q+2;;/p-2