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

Systemtic Name:	(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium
Openeye Name:	(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-cycloheptyl-ammonium
CAS Name:	(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-cycloheptylammonium
IUPAC Name:	(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-cycloheptylazanium
Traditional Name:	(4-benzoxy-3-chloro-5-ethoxy-benzyl)-cycloheptyl-ammonium
Formula:	C₂₃H₃₁ClNO₂+
MolecularWeight:	388.95074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30ClNO2/c1-2-26-22-15-19(16-25-20-12-8-3-4-9-13-20)14-21(24)23(22)27-17-18-10-6-5-7-11-18/h5-7,10-11,14-15,20,25H,2-4,8-9,12-13,16-17H2,1H3/p+1

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