(3-chloranyl-4,5-diethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (3-chloro-4,5-diethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-chloro-4,5-diethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (3-chloro-4,5-diethoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C17H29ClN2O2+2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)Cl)OCC

InChI

InChI=1S/C17H27ClN2O2/c1-3-21-16-10-14(9-15(18)17(16)22-4-2)12-20-11-13-5-7-19-8-6-13/h9-10,13,19-20H,3-8,11-12H2,1-2H3/p+2