(2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (2-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [2-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [2-bromo-4-(cyclopentoxy)-5-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C20H33BrN2O3+2 MolecularWeight: 429.39162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OC3CCCC3

InChI

InChI=1S/C20H31BrN2O3/c1-24-19-13-16(15-22-7-4-8-23-9-11-25-12-10-23)18(21)14-20(19)26-17-5-2-3-6-17/h13-14,17,22H,2-12,15H2,1H3/p+2