(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(2-diethylaminoethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(2-diethylaminoethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(2-diethylaminoethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(2-diethylaminoethyl)ammonium Formula: C21H30BrN2O2+ MolecularWeight: 422.3791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O2/c1-4-24(5-2)12-11-23-15-18-13-19(22)21(20(14-18)25-3)26-16-17-9-7-6-8-10-17/h6-10,13-14,23H,4-5,11-12,15-16H2,1-3H3/p+1