[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]azanium chloride

Systemtic Name: [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]azanium chloride Openeye Name: [1-[4,6-bis(allylamino)-1,3,5-triazin-2-yl]-4-piperidyl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]ammonium chloride CAS Name: [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]-4-piperidinyl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]ammonium chloride IUPAC Name: [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]azanium chloride Traditional Name: [1-[4,6-bis(allylamino)-s-triazin-2-yl]-4-piperidyl]-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]ammonium chloride Formula: C30H45ClN8O2 MolecularWeight: 585.1837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH2+]C1CCN(CC1)C2=NC(=NC(=N2)NCC=C)NCC=C)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCC[NH2+]C1CCN(CC1)C2=NC(=NC(=N2)NCC=C)NCC=C)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C30H44N8O2.ClH/c1-7-15-33-27-35-28(34-16-8-2)37-29(36-27)38-18-12-24(13-19-38)32-17-9-14-30(21-31,22(3)4)23-10-11-25(39-5)26(20-23)40-6;/h7-8,10-11,20,22,24,32H,1-2,9,12-19H2,3-6H3,(H2,33,34,35,36,37);1H