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

Systemtic Name: (3-chloranyl-4-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (4-benzyloxy-3-chloro-phenyl)methyl-cycloheptyl-ammonium CAS Name: (3-chloro-4-phenylmethoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (3-chloro-4-phenylmethoxyphenyl)methyl-cycloheptylazanium Traditional Name: (4-benzoxy-3-chloro-benzyl)-cycloheptyl-ammonium Formula: C21H27ClNO+ MolecularWeight: 344.89818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H26ClNO/c22-20-14-18(15-23-19-10-6-1-2-7-11-19)12-13-21(20)24-16-17-8-4-3-5-9-17/h3-5,8-9,12-14,19,23H,1-2,6-7,10-11,15-16H2/p+1