(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(3-isopropoxypropyl)ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26BrNO2/c1-16(2)23-12-6-11-22-14-18-13-19(21)9-10-20(18)24-15-17-7-4-3-5-8-17/h3-5,7-10,13,16,22H,6,11-12,14-15H2,1-2H3/p+1