(3-chloranyl-4,5-diethoxy-phenyl)methyl-cycloheptyl-azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (3-chloro-4,5-diethoxy-phenyl)methyl-cycloheptyl-ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (3-chloro-4,5-diethoxyphenyl)methyl-cycloheptylazanium Traditional Name: (3-chloro-4,5-diethoxy-benzyl)-cycloheptyl-ammonium Formula: C18H29ClNO2+ MolecularWeight: 326.88136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClNO2/c1-3-21-17-12-14(11-16(19)18(17)22-4-2)13-20-15-9-7-5-6-8-10-15/h11-12,15,20H,3-10,13H2,1-2H3/p+1