(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (3-chloro-5-ethoxy-4-methoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-methoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-chloro-5-ethoxy-4-methoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (3-chloro-5-ethoxy-4-methoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O2/c1-3-21-15-9-13(8-14(17)16(15)20-2)11-19-10-12-4-6-18-7-5-12/h8-9,12,18-19H,3-7,10-11H2,1-2H3/p+2