[2-[2-[(2-azaniumyl-4-methyl-phenoxy)methyl]prop-2-enoxy]-5-methyl-phenyl]azanium dichloride

Systemtic Name: [2-[2-[(2-azaniumyl-4-methyl-phenoxy)methyl]prop-2-enoxy]-5-methyl-phenyl]azanium dichloride Openeye Name: [2-[2-[(2-azaniumyl-4-methyl-phenoxy)methyl]allyloxy]-5-methyl-phenyl]ammonium dichloride CAS Name: [2-[2-[(2-ammonio-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylphenyl]ammonium dichloride IUPAC Name: [2-[2-[(2-azaniumyl-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylphenyl]azanium dichloride Traditional Name: [2-[2-[(2-ammonio-4-methyl-phenoxy)methyl]allyloxy]-5-methyl-phenyl]ammonium dichloride Formula: C18H24Cl2N2O2 MolecularWeight: 371.30136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=C)COC2=C(C=C(C=C2)C)[NH3+])[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=C)COC2=C(C=C(C=C2)C)[NH3+])[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C18H22N2O2.2ClH/c1-12-4-6-17(15(19)8-12)21-10-14(3)11-22-18-7-5-13(2)9-16(18)20;;/h4-9H,3,10-11,19-20H2,1-2H3;2*1H