(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium CAS Name: (3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium Formula: C16H27ClN2O3+2 MolecularWeight: 330.85018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC=C)OC)O

Isomeric SMILES

C[C@H](C[NH2+]CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC=C)OC)O

InChI

InChI=1S/C16H25ClN2O3/c1-4-7-22-16-14(17)8-13(9-15(16)21-3)11-19-6-5-18-10-12(2)20/h4,8-9,12,18-20H,1,5-7,10-11H2,2-3H3/p+2/t12-/m1/s1