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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO2/c1-21-11-5-10-20-13-16-8-9-18(17(19)12-16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20H,5,10-11,13-14H2,1H3/p+1