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(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclohexyl-azanium

Systemtic Name:	(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclohexyl-azanium
Openeye Name:	(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-cyclohexyl-ammonium
CAS Name:	(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclohexylammonium
IUPAC Name:	(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclohexylazanium
Traditional Name:	(4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclohexyl-ammonium
Formula:	C₂₂H₂₉ClNO₂+
MolecularWeight:	374.92416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28ClNO2/c1-2-25-21-14-18(15-24-19-11-7-4-8-12-19)13-20(23)22(21)26-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-14,19,24H,2,4,7-8,11-12,15-16H2,1H3/p+1

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