(2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylidene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride

Systemtic Name: (2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylidene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride Openeye Name: (2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride CAS Name: (2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylidene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride IUPAC Name: (2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylidene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride Traditional Name: (2Z)-2-[(5-hex-5-enyl-1H-pyrrol-1-ium-2-yl)methylene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole chloride Formula: C25H32ClN3O MolecularWeight: 425.99408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC1=CC2=CC=C([NH2+]2)CCCCC=C)C3=CC=C(N3)CCCC=C.[Cl-]

Isomeric SMILES

COC\1=CC(=N/C1=C\C2=CC=C([NH2+]2)CCCCC=C)C3=CC=C(N3)CCCC=C.[Cl-]

InChI

InChI=1S/C25H31N3O.ClH/c1-4-6-8-10-12-19-13-14-21(26-19)17-24-25(29-3)18-23(28-24)22-16-15-20(27-22)11-9-7-5-2;/h4-5,13-18,26-27H,1-2,6-12H2,3H3;1H/b24-17-;