4-[3,5-bis(5-azanylidene-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine

Systemtic Name: 4-[3,5-bis(5-azanylidene-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Openeye Name: 4-[3,5-bis(5-imino-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine CAS Name: 4-[3,5-bis(5-imino-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine IUPAC Name: 4-[3,5-bis(5-imino-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Traditional Name: [4-[3,5-bis(5-imino-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-4-yl)phenyl]-3-propyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene]amine Formula: C21H27N9O3 MolecularWeight: 453.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=N)O[N-]1)C2=CC(=CC(=C2)C3=[N+]([N-]OC3=N)CCC)C4=[N+]([N-]OC4=N)CCC

Isomeric SMILES

CCC[N+]1=C(C(=N)O[N-]1)C2=CC(=CC(=C2)C3=[N+]([N-]OC3=N)CCC)C4=[N+]([N-]OC4=N)CCC

InChI

InChI=1S/C21H27N9O3/c1-4-7-28-16(19(22)31-25-28)13-10-14(17-20(23)32-26-29(17)8-5-2)12-15(11-13)18-21(24)33-27-30(18)9-6-3/h10-12,22-24H,4-9H2,1-3H3