(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-propyl-azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-propyl-azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-propyl-ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-propylammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-propylazanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-propyl-ammonium Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C18H22ClNO2/c1-3-9-20-12-15-10-16(19)18(17(11-15)21-2)22-13-14-7-5-4-6-8-14/h4-8,10-11,20H,3,9,12-13H2,1-2H3/p+1