(2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2H-pyrrol-3-ylidene]-5-tridecyl-pyrrole hydrochloride

Systemtic Name: (2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2H-pyrrol-3-ylidene]-5-tridecyl-pyrrole hydrochloride Openeye Name: (2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2H-pyrrol-3-ylidene]-5-tridecyl-pyrrole hydrochloride CAS Name: (2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2H-pyrrol-3-ylidene]-5-tridecylpyrrole hydrochloride IUPAC Name: (2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2H-pyrrol-3-ylidene]-5-tridecylpyrrole hydrochloride Traditional Name: (2E)-2-[1-methyl-2-(1H-pyrrol-2-yl)-2-pyrrolin-3-ylidene]-5-tridecyl-pyrrole hydrochloride Formula: C26H40ClN3 MolecularWeight: 430.0689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NC(=C2C=CN(C2C3=CC=CN3)C)C=C1.Cl

Isomeric SMILES

CCCCCCCCCCCCCC1=N/C(=C/2\C=CN(C2C3=CC=CN3)C)/C=C1.Cl

InChI

InChI=1S/C26H39N3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-15-22-17-18-24(28-22)23-19-21-29(2)26(23)25-16-14-20-27-25;/h14,16-21,26-27H,3-13,15H2,1-2H3;1H/b24-23+;