(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C17H27ClN2O2+2 MolecularWeight: 326.86148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC=C

InChI

InChI=1S/C17H25ClN2O2/c1-3-8-22-17-15(18)9-14(10-16(17)21-2)12-20-11-13-4-6-19-7-5-13/h3,9-10,13,19-20H,1,4-8,11-12H2,2H3/p+2