(2-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (2-bromanyl-4-cyclopentyloxy-5-ethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [2-bromo-4-(cyclopentoxy)-5-ethoxy-phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [2-bromo-4-(cyclopentoxy)-5-ethoxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C18H29BrNO3+ MolecularWeight: 387.33176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C=C1Br)OC2CCCC2)OCC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1Br)OC2CCCC2)OCC

InChI

InChI=1S/C18H28BrNO3/c1-3-14(12-21)20-11-13-9-17(22-4-2)18(10-16(13)19)23-15-7-5-6-8-15/h9-10,14-15,20-21H,3-8,11-12H2,1-2H3/p+1/t14-/m1/s1