(3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(1-oxidanylbutan-2-yl)azanium

Systemtic Name: (3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)methyl-(1-oxidanylbutan-2-yl)azanium Openeye Name: [3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]methyl-[1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-(1-hydroxybutan-2-yl)ammonium IUPAC Name: (3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl-(1-hydroxybutan-2-yl)azanium Traditional Name: [3-bromo-4-(cyclopentoxy)-5-methoxy-benzyl]-(1-methylolpropyl)ammonium Formula: C17H27BrNO3+ MolecularWeight: 373.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OC2CCCC2)OC

Isomeric SMILES

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Br)OC2CCCC2)OC

InChI

InChI=1S/C17H26BrNO3/c1-3-13(11-20)19-10-12-8-15(18)17(16(9-12)21-2)22-14-6-4-5-7-14/h8-9,13-14,19-20H,3-7,10-11H2,1-2H3/p+1