2-[(2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-bromo-4-(cyclopentoxy)-5-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C17H29BrN2O2+2 MolecularWeight: 373.32836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC(=C(C=C1Br)OC2CCCC2)OC

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC(=C(C=C1Br)OC2CCCC2)OC

InChI

InChI=1S/C17H27BrN2O2/c1-20(2)9-8-19-12-13-10-16(21-3)17(11-15(13)18)22-14-6-4-5-7-14/h10-11,14,19H,4-9,12H2,1-3H3/p+2