4-[(2E,6E)-8-(4-carbamimidoylphenoxy)-5-piperazin-1-yl-octa-2,6-dienoxy]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[(2E,6E)-8-(4-carbamimidoylphenoxy)-5-piperazin-1-yl-octa-2,6-dienoxy]benzenecarboximidamide hydrochloride Openeye Name: 4-[(2E,6E)-8-(4-carbamimidoylphenoxy)-5-piperazin-1-yl-octa-2,6-dienoxy]benzamidine hydrochloride CAS Name: 4-[(2E,6E)-8-(4-carbamimidoylphenoxy)-5-(1-piperazinyl)octa-2,6-dienoxy]benzenecarboximidamide hydrochloride IUPAC Name: 4-[(2E,6E)-8-(4-carbamimidoylphenoxy)-5-piperazin-1-ylocta-2,6-dienoxy]benzenecarboximidamide hydrochloride Traditional Name: 4-[(2E,6E)-8-(4-amidinophenoxy)-5-piperazino-octa-2,6-dienoxy]benzamidine hydrochloride Formula: C26H35ClN6O2 MolecularWeight: 499.0481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC=CCOC2=CC=C(C=C2)C(=N)N)C=CCOC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CN(CCN1)C(C/C=C/COC2=CC=C(C=C2)C(=N)N)/C=C/COC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C26H34N6O2.ClH/c27-25(28)20-6-10-23(11-7-20)33-18-2-1-4-22(32-16-14-31-15-17-32)5-3-19-34-24-12-8-21(9-13-24)26(29)30;/h1-3,5-13,22,31H,4,14-19H2,(H3,27,28)(H3,29,30);1H/b2-1+,5-3+;